SCHEMBL10132034

SCHEMBL10132034

CC(C)(C)N1CCOc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
PDK1 Q15118 1/20 0.46
LMNA P02545 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
NUDT1 P36639 1/20 0.38
HTR1A P08908 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
SCHEMBL19754381 0.89 NOTUM (0.45) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL19754374 0.88 NOTUM (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL19002511 0.84 NOTUM (0.47) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL12598829 0.81 ABCG2 (0.39) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL19231974 0.80 NOTUM (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL13145759 0.77 AR (0.43) LMNASMN1; SMN2HTTKMT2AAR
SCHEMBL13151212 0.77 ALDH1A1 (0.44) NOTUMSMN1; SMN2NPC1POLBKMT2A
SCHEMBL10222502 0.77 MAPT (0.43) LMNASMN1; SMN2HTTPOLBKMT2A
SCHEMBL25094290 0.76 SLC22A12 (0.44) NOTUMARSLC22A12NUDT1
SCHEMBL13145769 0.76 AR (0.45) HTTNPC1POLBARHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (11 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 NOTUM 1110/4885ITGB2 3382/4885ICAM1 3286/4885
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 NOTUM 3599/4885ITGB2 2718/4885ICAM1 3317/4885
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NOTUM 1368/4885ITGB2 3717/4885ICAM1 3541/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 NOTUM 3091/4885ITGB2 2128/4885ICAM1 204/4885
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 NOTUM 3848/4885ITGB2 4009/4885ICAM1 3835/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 NOTUM 3394/4885ITGB2 1971/4885ICAM1 823/4885
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 NOTUM 3285/4885ITGB2 2800/4885ICAM1 2851/4885
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 NOTUM 4528/4885ITGB2 2008/4885ICAM1 869/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 NOTUM 3720/4885ITGB2 3236/4885ICAM1 1722/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL NOTUM 1863/4885ITGB2 2420/4885ICAM1 4776/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS NOTUM 1859/4885ITGB2 3651/4885ICAM1 2397/4885

“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.