SCHEMBL6980883

SCHEMBL6980883

CC(C)(C)Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
AKR1B1 P15121 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2A13 Q16696 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16939391 0.87 TAAR1 (0.39) TAAR1AKR1B1SMN1; SMN2HPGDLMNA
SCHEMBL6984300 0.85 TAAR1 (0.55) TAAR1SMN1; SMN2GAAHTTNPSR1
SCHEMBL18419796 0.82 P2RX7 (0.39) TAAR1NR3C1NR3C2KMT2A
SCHEMBL20428033 0.79 TAAR1 (0.40) TAAR1AKR1B1SMN1; SMN2HPGDCYP1A2
SCHEMBL10026846 0.78 ESR1 (0.33)
SCHEMBL11567106 0.77 TAAR1 (0.46) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL21782546 0.76 HPGD (0.33) TAAR1AKR1B1SMN1; SMN2HPGDCYP1A2
SCHEMBL11910297 0.76 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2HPGDCYP1A2
SCHEMBL3912635 0.76 TAAR1 (0.38) TAAR1AKR1B1SMN1; SMN2HPGDCYP1A2
SCHEMBL10026852 0.75 ALDH1A1 (0.39) SMN1; SMN2HPGDTSHRHTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3031229-A None JP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 EP disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 US disclosed
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors ILYPSA, INC. 2008-02-28 US disclosed
US-20080021049-A1 Treatment Of Diet-Related Conditions Using Phospholipase-A2 Inhibitors Comprising Indoles And Related Compounds ILYPSA, INC. 2008-01-24 US disclosed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
JP-H0331229-A PRODUCTION OF 2,6-DICHLOROTOLUENE IDEMITSU KOSAN CO LTD 1991-02-12 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10035790-B2 RORγ modulators RORB, RORA, RORC TAAR1 1070/4885AKR1B1 218/4885SMN1; SMN2 3896/4885
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP TAAR1 1967/4885AKR1B1 369/4885SMN1; SMN2 4718/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TAAR1 3381/4885AKR1B1 2585/4885SMN1; SMN2 4059/4885
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 TAAR1 804/4885AKR1B1 1565/4885SMN1; SMN2 4674/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 TAAR1 804/4885AKR1B1 1565/4885SMN1; SMN2 4674/4885
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same GRK2, GRK4, GRK5 TAAR1 844/4885AKR1B1 1873/4885SMN1; SMN2 4310/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 TAAR1 2565/4885AKR1B1 1398/4885SMN1; SMN2 4155/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885AKR1B1 2006/4885SMN1; SMN2 1394/4885
US-20080021049-A1 Treatment Of Diet-Related Conditions Using Phospholipase-A2 Inhibitors Comprising Indoles And Related Compounds PLA2G12A, PLA2G4A, PLA2G2E TAAR1 663/4885AKR1B1 201/4885SMN1; SMN2 3821/4885
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B TAAR1 1897/4885AKR1B1 845/4885SMN1; SMN2 4186/4885
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF URB2, UGP2, NLRP3 TAAR1 3781/4885AKR1B1 495/4885SMN1; SMN2 4594/4885
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors PNLIP, PLA2G1B, PLA2G4A TAAR1 2382/4885AKR1B1 561/4885SMN1; SMN2 4701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.