SCHEMBL29411804

SCHEMBL29411804

CCOC(=O)c1nc(-c2nnn(C)c2COC2CCCCO2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 5/20 0.39
▸ ABCC3 O15438 2/20 0.39
▸ ABCC4 O15439 2/20 0.39
▸ SLCO1B3 Q9NPD5 2/20 0.39
▸ ABCB11 O95342 3/20 0.37
▸ LPAR1 Q92633 1/20 0.37
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL19715802 1.00 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29411793 0.92 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL19715468 0.92 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL19715601 0.85 SLCO1B1 (0.36) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL27157558 0.83 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29922208 0.83 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL30452885 0.81 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29068035 0.81 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29068148 0.80 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL30453259 0.80 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249443-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-08-11 — — US disclosed
CN-114601830-A Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists 百时美施贵宝公司 2022-06-10 — — CN disclosed
CN-109963843-B Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists 百时美施贵宝公司 2022-03-11 — — CN 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 (1 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-20220249443-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCC3 1577/4885ABCC4 2657/4885

“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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