SCHEMBL1683

SCHEMBL1683

Cc1noc(-c2ccc(Br)cc2)c1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 2/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL1606639 0.94 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2153 0.88 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1652 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL18597812 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1185 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL14789795 0.85 ALDH1A1 (0.39) TRPV1MEN1KMT2AFFAR4ALDH1A1
SCHEMBL6483 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL31526265 0.83 GCGR (0.42) TRPV1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21107786 0.83 TRPV1 (0.36) TRPV1FFAR4ALDH1A1SMN1; SMN2MAPT
SCHEMBL14792983 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986553-B1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-03-25 EP disclosed
EP-3728210-B1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-02-11 EP disclosed
EP-3728209-B1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 EP disclosed
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-11 US disclosed
US-12384768-B2 Isoxazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-08-12 US disclosed
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-06-12 US disclosed
CN-112041304-B Isoxazole N-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2025-03-07 CN disclosed
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 US disclosed
EP-4490150-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-01-15 EP disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, Inc. (US) 2011-04-07 US disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (7 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-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 CYP1A2 2172/4885CYP3A4 2971/4885CYP2C9 2528/4885
US-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 CYP1A2 1516/4885CYP3A4 2368/4885CYP2C9 2032/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP1A2 4291/4885CYP3A4 4639/4885CYP2C9 4650/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 CYP1A2 4342/4885CYP3A4 4616/4885CYP2C9 4732/4885
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 CYP1A2 2255/4885CYP3A4 4198/4885CYP2C9 3398/4885
US-12384768-B2 Isoxazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 CYP1A2 1697/4885CYP3A4 2286/4885CYP2C9 1818/4885
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists LPAR1, LPAR3, LPAR2 CYP1A2 2873/4885CYP3A4 3664/4885CYP2C9 3424/4885

“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.