SCHEMBL22230645

SCHEMBL22230645

Cc1onc(-c2ccc(Br)cc2)c1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.49
CACNA1F O60840 1/20 0.44
ABCB1 P08183 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL2925549 0.86 ALDH1A1 (0.48) GABRA5ALDH1A1RAB9ANPSR1MEN1
SCHEMBL14790148 0.85 GABRA5 (0.50) GABRA5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL6987 0.85 GABRA5 (0.50) GABRA5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL2928713 0.83 GABRA5 (0.52) GABRA5
SCHEMBL286403 0.83 GABRA5 (0.52) GABRA5KMT2APTGS1PTGS2
SCHEMBL107436 0.83 PTGS1 (0.58) GABRA5ALDH1A1NPSR1MEN1KMT2A
SCHEMBL27886974 0.82 GABRA5 (0.48) GABRA5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL2829680 0.81 CACNA1F (0.46) GABRA5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL1777617 0.81 GABRA5 (0.46) GABRA5ALDH1A1NPSR1KMT2APTGS1
SCHEMBL24555946 0.81 GABRA5 (0.56) GABRA5CACNA1FABCB1CACNA1DCACNA1S

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-112041316-B Isoxazole O-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2024-11-22 CN disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
CN-112771027-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2021-05-07 CN disclosed
CN-112041316-A Isoxazole O-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2020-12-04 CN disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 US disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
CN-111434655-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2020-07-21 CN 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 (4 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 GABRA5 764/4885CACNA1F 951/4885ABCB1 3054/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 GABRA5 764/4885CACNA1F 951/4885ABCB1 3054/4885
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 GABRA5 927/4885CACNA1F 981/4885ABCB1 3511/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 GABRA5 914/4885CACNA1F 1005/4885ABCB1 3383/4885

“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.