SCHEMBL22436302

SCHEMBL22436302

Cn1nnc(-c2ccc(OC3CCCC(C(=O)O)C3)cc2)c1CN

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 7/20 0.70
▸ ABCB11 O95342 3/20 0.55
▸ LPAR1 Q92633 5/20 0.47
▸ ABCC3 O15438 2/20 0.47
▸ ABCC4 O15439 2/20 0.47
▸ SLCO1B3 Q9NPD5 2/20 0.47
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ FURIN P09958 2/20 0.34
▸ TNK2 Q07912 1/20 0.33
▸ GABRA5 P31644 1/20 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
SCHEMBL19715602 0.91 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252461 0.88 SLCO1B1 (0.76) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097525 0.88 SLCO1B1 (0.56) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL28498862 0.88 SLCO1B1 (0.56) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL23697798 0.88 SLCO1B1 (0.56) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252454 0.87 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21058139 0.87 SLCO1B1 (0.72) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252457 0.86 SLCO1B1 (0.68) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436300 0.85 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252458 0.85 SLCO1B1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 — — EP disclosed
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 — — US disclosed
EP-3710438-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-09-23 — — EP 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-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1638/4885ABCB11 1865/4885LPAR1 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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