SCHEMBL3669879

SCHEMBL3669879

CC(N)c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
AOC3 Q16853 1/20 0.54
HTT P42858 2/20 0.49
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1744600 1.00 PTGS1 (0.59) PTGS1PTGS2AOC3HTTKDM1A
SCHEMBL20559648 1.00 PTGS1 (0.59) PTGS1PTGS2AOC3HTTKDM1A
SCHEMBL22077025 0.94 PTGS1 (0.54) PTGS1PTGS2AOC3HTTKDM1A
SCHEMBL29337497 0.92 PTGS1 (0.51) PTGS1PTGS2AOC3HTTKDM1A
SCHEMBL3704721 0.88 TAAR1 (0.56) PTGS1PTGS2KDM4ETAAR1SLC6A2
SCHEMBL1254034 0.88 TAAR1 (0.56) PTGS1PTGS2KDM4ETAAR1SLC6A2
SCHEMBL16325098 0.88 TAAR1 (0.56) PTGS1PTGS2KDM4ETAAR1SLC6A2
Hydrochloric Acid SCHEMBL25420079 0.86 TAAR1 (0.54) PTGS1PTGS2KDM4ETAAR1SLC6A2
Hydrochloric Acid SCHEMBL17476761 0.86 TAAR1 (0.54) PTGS1PTGS2KDM4ETAAR1SLC6A2
SCHEMBL71414 0.83 PTGS1 (0.62) PTGS1PTGS2AOC3HTTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354727-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2020-10-07 EP claimed
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-29 US disclosed
EP-4031552-B1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2024-11-06 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed
WO-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO 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 (8 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 PTGS1 1928/4885PTGS2 1371/4885AOC3 4782/4885
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES GPR139, GPR119, GPR39 PTGS1 2279/4885PTGS2 2906/4885AOC3 2626/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PTGS1 1228/4885PTGS2 1521/4885AOC3 4695/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 PTGS1 2986/4885PTGS2 2441/4885AOC3 4386/4885
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives GPR139, GPR119, GPR39 PTGS1 2279/4885PTGS2 2906/4885AOC3 2626/4885
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 PTGS1 2159/4885PTGS2 2497/4885AOC3 1557/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E PTGS1 2734/4885PTGS2 1401/4885AOC3 3251/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 PTGS1 1928/4885PTGS2 1371/4885AOC3 4782/4885

“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.