SCHEMBL2134746

SCHEMBL2134746

COc1ccc(F)c([C@@H]2C[C@H]2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CPS1 P31327 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21921670 1.00 FFAR1 (0.47) FFAR1CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL2134742 1.00 FFAR1 (0.47) FFAR1CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL14480439 0.88 FFAR1 (0.47) FFAR1CYP4F2CYP4A11CPS1KMT2A
SCHEMBL10289079 0.88 FFAR1 (0.47) FFAR1CYP4F2CYP4A11CPS1KMT2A
SCHEMBL2133690 0.88 FFAR1 (0.47) FFAR1CYP4F2CYP4A11CPS1KMT2A
SCHEMBL10288350 0.88 FFAR1 (0.47) FFAR1CYP4F2CYP4A11CPS1KMT2A
SCHEMBL2968543 0.84 MTNR1A (0.44) FFAR1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL2957759 0.84 MTNR1A (0.60) FFAR1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL2135558 0.82 CA1 (0.45) FFAR1KMT2AMEN1
SCHEMBL2135553 0.82 CA1 (0.45) FFAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (2 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1470/4885CYP4F2 3310/4885CYP4A11 2932/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1439/4885CYP4F2 3304/4885CYP4A11 2906/4885

“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.