SCHEMBL4910896

SCHEMBL4910896

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.38
MAPK14 Q16539 2/20 0.35
MAP3K11 Q16584 1/20 0.34
GHSR Q92847 5/20 0.33
CHEK1 O14757 1/20 0.33
HSD11B1 P28845 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CTSK P43235 1/20 0.33
TGFBR1 P36897 1/20 0.33
CHRM2 P08172 1/20 0.33
FASN P49327 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
SCHEMBL4914233 0.93 OXTR (0.38) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4910857 0.92 OXTR (0.37) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4910848 0.91 OXTR (0.37) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4908697 0.90 OXTR (0.36) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4914441 0.89 OXTR (0.39) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4914201 0.89 OXTR (0.39) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4904155 0.89 OXTR (0.39) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4912268 0.89 OXTR (0.39) OXTRMAPK14MAP3K11GHSRCHEK1
SCHEMBL4907077 0.88 GHSR (0.36) OXTRMAPK14GHSRCHEK1CTSK
SCHEMBL4911982 0.88 OXTR (0.38) OXTRMAPK14MAP3K11GHSRCHEK1

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 OXTR 908/4885MAPK14 1799/4885MAP3K11 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.