SCHEMBL21097989

SCHEMBL21097989

CS(C)(C)Cn1nnc(-c2ccc(Br)cc2)c1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LPAR1 Q92633 1/20 0.30

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
SCHEMBL21057886 0.88 KDM4C (0.32) KDM4CNPC1RAB9ALPAR1
SCHEMBL21058053 0.85 LPAR1 (0.40) KDM4CNPC1RAB9ALPAR1
SCHEMBL21058017 0.75 GABRA5 (0.40) KDM4CNPC1RAB9ALPAR1
SCHEMBL25422781 0.74 SLCO1B1 (0.39) KDM4CNPC1RAB9A
SCHEMBL29067845 0.71 ABCB11 (0.38) KDM4CNPC1RAB9A
SCHEMBL30740321 0.69 GRIN1 (0.32) KDM4CNPC1RAB9A
SCHEMBL29180468 0.69 GRIN1 (0.32) KDM4CNPC1RAB9A
SCHEMBL2884836 0.69 ICAM1 (0.42) KDM4CNPC1RAB9A
SCHEMBL4079719 0.69 ICAM1 (0.42) KDM4CNPC1RAB9A
SCHEMBL25423074 0.68 GABRA5 (0.36) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 — — US disclosed
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — 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-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 (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-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 KDM4C 3654/4885NPC1 396/4885RAB9A 2179/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 KDM4C 3140/4885NPC1 250/4885RAB9A 1907/4885

“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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