SCHEMBL19728936

SCHEMBL19728936

Cn1nnc(-c2cnc(Br)c(COC=O)n2)c1COC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 2/20 0.32
▸ SLCO1B1 Q9Y6L6 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL19715730 0.88 KDM4C (0.32) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL29411818 0.88 NPC1 (0.34) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715528 0.88 NPC1 (0.34) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715615 0.85 SLCO1B1 (0.38) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL29411851 0.82 SLCO1B1 (0.37) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715614 0.82 SLCO1B1 (0.37) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715572 0.82 SLCO1B1 (0.37) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL29411767 0.82 SLCO1B1 (0.37) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715752 0.81 ABCB11 (0.35) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19728935 0.80 ABCB11 (0.34) ABCB11SLCO1B1KDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 ABCB11 2022/4885SLCO1B1 1507/4885KDM4C 2558/4885

“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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