SCHEMBL21058023

SCHEMBL21058023

CC(C)C1(Oc2ccc(-c3nnn(C)c3COC3CCCCO3)cc2)CCCC(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.44
▸ ABCB11 O95342 2/20 0.36
▸ GABRA5 P31644 2/20 0.33
▸ LPAR1 Q92633 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TNK2 Q07912 1/20 0.32
▸ ABCC3 O15438 2/20 0.31
▸ ABCC4 O15439 2/20 0.31
▸ SLCO1B3 Q9NPD5 2/20 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
SCHEMBL21058022 0.86 SLCO1B1 (0.37) SLCO1B1ABCB11GABRA5LPAR1MEN1
SCHEMBL21058171 0.85 SLCO1B1 (0.44) SLCO1B1ABCB11GABRA5LPAR1ABCC3
SCHEMBL21057918 0.84 SLCO1B1 (0.44) SLCO1B1ABCB11GABRA5LPAR1ABCC3
SCHEMBL21058150 0.84 SLCO1B1 (0.44) SLCO1B1ABCB11GABRA5LPAR1ABCC3
SCHEMBL21057997 0.80 SLCO1B1 (0.41) SLCO1B1ABCB11LPAR1
SCHEMBL22436317 0.80 SLCO1B1 (0.68) SLCO1B1ABCB11GABRA5LPAR1MEN1
SCHEMBL21058017 0.76 GABRA5 (0.40) SLCO1B1GABRA5LPAR1MEN1KMT2A
SCHEMBL28494801 0.75 SLCO1B1 (0.55) SLCO1B1ABCB11GABRA5LPAR1MEN1
SCHEMBL21097145 0.75 SLCO1B1 (0.55) SLCO1B1ABCB11GABRA5LPAR1MEN1
SCHEMBL25422781 0.73 SLCO1B1 (0.39) SLCO1B1GABRA5MEN1KMT2ATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 — — EP 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
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
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 SLCO1B1 1638/4885ABCB11 1865/4885GABRA5 720/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885GABRA5 736/4885

“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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