SCHEMBL21058017

SCHEMBL21058017

Cn1nnc(-c2ccc(O)cc2)c1COC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 2/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ PDE4D Q08499 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LPAR1 Q92633 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ TNK2 Q07912 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ EP300 Q09472 1/20 0.32

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
SCHEMBL21058053 0.90 LPAR1 (0.40) GABRA5SLCO1B1MEN1KMT2AKDM4C
SCHEMBL25422781 0.90 SLCO1B1 (0.39) GABRA5SLCO1B1PDE4DPDE7AMEN1
SCHEMBL22806839 0.85 SLCO1B1 (0.41) GABRA5SLCO1B1MEN1KMT2AKDM4C
SCHEMBL31008992 0.84 KDM4C (0.36) GABRA5PDE4DPDE7AMEN1KMT2A
SCHEMBL22252516 0.83 SLCO1B1 (0.47) GABRA5SLCO1B1PDE4DPDE7ALPAR1
SCHEMBL25239936 0.82 GABRA5 (0.33) GABRA5MEN1KMT2AKDM4CNPC1
SCHEMBL25423074 0.82 GABRA5 (0.36) GABRA5SLCO1B1MEN1KMT2ANPC1
SCHEMBL30472638 0.81 RAB9A (0.45) GABRA5SLCO1B1MEN1KMT2ARAB9A
SCHEMBL29411759 0.81 SLCO1B1 (0.38) GABRA5SLCO1B1MEN1KMT2AKDM4C
SCHEMBL19715757 0.81 SLCO1B1 (0.38) GABRA5SLCO1B1MEN1KMT2AKDM4C

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 30 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-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-14 — — US disclosed
CN-112521368-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2023-12-05 — — CN disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 — — EP disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 — — EP disclosed
CN-112521368-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-03-19 — — CN disclosed
CN-112189010-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-01-05 — — CN disclosed
EP-3728223-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 — — EP disclosed
EP-3710438-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-09-23 — — 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-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-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-14 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — 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 (6 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-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 GABRA5 736/4885SLCO1B1 1395/4885PDE4D 583/4885

“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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