SCHEMBL19715489

SCHEMBL19715489

Cc1nc(-c2nnn(C)c2CO)cnc1O[C@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 8/20 0.71
▸ ABCB11 O95342 3/20 0.71
▸ LPAR1 Q92633 7/20 0.54
▸ ABCC3 O15438 2/20 0.54
▸ ABCC4 O15439 2/20 0.54
▸ SLCO1B3 Q9NPD5 2/20 0.54
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PIK3CD O00329 5/20 0.33

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
SCHEMBL19728937 0.89 SLCO1B1 (0.58) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL29411772 0.89 SLCO1B1 (0.58) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL19715803 0.86 SLCO1B1 (0.82) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22108342 0.85 SLCO1B1 (0.52) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436315 0.85 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21807864 0.85 SLCO1B1 (0.56) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436313 0.85 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL19715644 0.85 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL29396987 0.85 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL28631662 0.85 SLCO1B1 (0.56) SLCO1B1ABCB11LPAR1ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390249-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-12-07 — — US disclosed
US-RE49352-E1 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-03 — — US disclosed
EP-3666771-B1 LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 — — US disclosed
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
EP-3666771-A1 LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-06-17 — — EP disclosed
US-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 2022/4885LPAR1 2/4885
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-20230390249-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-20180333395-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885
US-10071078-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885LPAR1 2/4885

“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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