SCHEMBL19715601

SCHEMBL19715601

Cc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.36
▸ ABCB11 O95342 3/20 0.36
▸ ABCC3 O15438 2/20 0.36
▸ ABCC4 O15439 2/20 0.36
▸ SLCO1B3 Q9NPD5 2/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL24982985 0.90 SLCO1B1 (0.39) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29922208 0.88 SLCO1B1 (0.33) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30740321 0.88 GRIN1 (0.32) GRIN1GRIN2BTGFBR1TGFBR2KDM4C
SCHEMBL27157558 0.88 SLCO1B1 (0.33) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29180468 0.88 GRIN1 (0.32) GRIN1GRIN2BTGFBR1TGFBR2KDM4C
SCHEMBL29411759 0.88 SLCO1B1 (0.38) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715757 0.88 SLCO1B1 (0.38) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29068035 0.87 SLCO1B1 (0.32) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30452885 0.87 SLCO1B1 (0.32) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30454078 0.87 SLCO1B1 (0.32) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112189010-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2026-05-15 — — CN disclosed
US-20250230140-A1 NOVEL TRIAZOLE-PYRIDINE SUBSTITUTED PYRROLIDINYL AND TETRAHYDRO-2H-PYRANYL ACETIC ACID COMPOUNDS AS LPA ANTAGONISTS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2025-07-17 — — US disclosed
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 — — US disclosed
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-20 — — US disclosed
WO-2025026266-A1 COMPOUND AS LPAR1 ANTAGONIST, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2025-02-06 — — WO disclosed
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-14 — — US disclosed
EP-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 — — EP disclosed
CN-112055711-B Cyclohexylic acid triazolazine as LPA antagonist 百时美施贵宝公司 2024-07-23 — — CN disclosed
CN-117751106-A Novel triazole-pyridine substituted pyrrolidinyl and tetrahydro-2H-pyranylacetic acid compounds as LPA antagonists 唯久生物技术(苏州)有限公司 2024-03-22 — — CN disclosed
EP-4330249-A1 NOVEL TRIAZOLE-PYRIDINE SUBSTITUTED PYRROLIDINYL AND TETRAHYDRO-2H-PYRANYL ACETIC ACID COMPOUNDS AS LPA ANTAGONISTS Viva Star Biosciences (Suzhou) Co., Ltd. (CN) 2024-03-06 — — EP disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 — — US disclosed
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-14 — — US disclosed
US-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
EP-3472148-B1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 — — EP disclosed
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — US disclosed
US-20180333395-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS CHENG PETER TAI WAH (US) 2018-11-22 — — US disclosed
US-10071078-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-11 — — US disclosed
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2017-12-21 — — US disclosed
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2017-12-21 — — 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 (12 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-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885ABCC3 2221/4885
US-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885ABCC3 2221/4885
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885ABCC3 2221/4885
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 SLCO1B1 2746/4885ABCB11 1315/4885ABCC3 1945/4885
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-20250230140-A1 NOVEL TRIAZOLE-PYRIDINE SUBSTITUTED PYRROLIDINYL AND TETRAHYDRO-2H-PYRANYL ACETIC ACID COMPOUNDS AS LPA ANTAGONISTS LPAR3, LPAR2, LPAR1 SLCO1B1 4492/4885ABCB11 3988/4885ABCC3 3071/4885
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885ABCC3 2221/4885
US-20180333395-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-10071078-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885

“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.

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