SCHEMBL9968894

SCHEMBL9968894

COc1ncccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
CYP2D6 P10635 3/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
BTK Q06187 1/20 0.40
VDR P11473 1/20 0.38
FAAH O00519 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL30083020 1.00 APLNR (0.44) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL24992088 0.86 CD274 (0.46) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL3055286 0.86 CD274 (0.46) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL30320151 0.86 CD274 (0.46) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL25227231 0.84 CYP2D6 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL21606226 0.84 APLNR (0.42) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL1515447 0.84 APLNR (0.42) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL23363180 0.84 CYP2D6 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL23501024 0.84 CD274 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL23363181 0.84 CYP2D6 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227695-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US 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 (10 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 APLNR 2849/4885CYP2D6 443/4885HRH1 1608/4885
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 APLNR 219/4885CYP2D6 2364/4885HRH1 108/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 APLNR 3451/4885CYP2D6 933/4885HRH1 1181/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E APLNR 3900/4885CYP2D6 1727/4885HRH1 3730/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 APLNR 2930/4885CYP2D6 242/4885HRH1 2613/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 APLNR 177/4885CYP2D6 4598/4885HRH1 776/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 APLNR 3276/4885CYP2D6 3776/4885HRH1 2380/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 APLNR 219/4885CYP2D6 2364/4885HRH1 108/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 APLNR 828/4885CYP2D6 3832/4885HRH1 1045/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 APLNR 2342/4885CYP2D6 3664/4885HRH1 3534/4885

“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.