SCHEMBL694005

SCHEMBL694005

Fc1ccc(-c2c[c]ccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
AGXT P21549 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
MAOB P27338 1/20 0.33
ESR2 Q92731 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A3 P47895 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL17200847 0.88 ALDH1A1 (0.37) BCL2L1TAAR1MEN1KMT2AHSD17B1
SCHEMBL24983 0.83 ALDH1A1 (0.47) BCL2L1AGXTTAAR1PTGS1
SCHEMBL2448213 0.83 ALDH1A1 (0.47) BCL2L1AGXTTAAR1PTGS1
SCHEMBL1510123 0.83 ALDH1A1 (0.37) MEN1KMT2AHSD17B1HSD17B2
SCHEMBL610112 0.83 ALDH1A1 (0.33)
SCHEMBL2960 0.80 ALDH1A1 (0.50) BCL2L1TAAR1NPC1RAB9A
SCHEMBL2752387 0.80 NOTUM (0.35) TAAR1ESR2
SCHEMBL694191 0.78 TAAR1 (0.48) TAAR1ESR2MEN1KMT2AHSD17B1
SCHEMBL509984 0.78 ALDH1A1 (0.33)
SCHEMBL147390 0.77 RAB9A (0.36) ADORA2AADORA1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114615969-A Novel process 帝斯曼知识产权资产管理有限公司 2022-06-10 CN claimed
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US claimed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO claimed
EP-3191468-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-12 EP claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
CN-102548983-A Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN claimed
EP-1163237-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-06 EP claimed
EP-1165566-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE ASTRAZENECA AB (SE) 2003-08-20 EP claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
JP-2002540112-A 2002-11-26 JP claimed
CN-1351604-A Pyridine and pyrimidine derivatives and their use as inhibitors of cytokines mediating diseases ASTRAZENECA AB (SE) 2002-05-29 CN claimed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN claimed
EP-1165566-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE AstraZeneca AB (SE) 2002-01-02 EP claimed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
WO-2000056738-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE ASTRAZENECA AB (SE) 2000-09-28 WO claimed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC BCL2L1 3526/4885BAD 4420/4885AGXT 280/4885
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 BCL2L1 3997/4885BAD 1930/4885AGXT 1387/4885

“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.