SCHEMBL4904698

SCHEMBL4904698

CC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(NS(C)(=O)=O)c2)c2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
OXTR P30559 1/20 0.38
MAP3K11 Q16584 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
GHSR Q92847 5/20 0.35
MAPK14 Q16539 2/20 0.35
HSD11B1 P28845 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL4910783 1.00 S1PR1 (0.42) S1PR1OXTRMAP3K11PIP4K2APIP4K2B
SCHEMBL4911977 0.90 OXTR (0.40) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4904155 0.89 OXTR (0.39) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4914441 0.89 OXTR (0.39) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4912268 0.89 OXTR (0.39) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4914201 0.89 OXTR (0.39) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4912278 0.88 OXTR (0.38) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4914233 0.88 OXTR (0.38) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL4911982 0.88 OXTR (0.38) OXTRMAP3K11GHSRMAPK14HSD11B1
SCHEMBL14258933 0.87 OXTR (0.42) OXTRMAP3K11GHSRMAPK14HSD11B1

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 S1PR1 1732/4885OXTR 908/4885MAP3K11 2846/4885

“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.