SCHEMBL4908697

SCHEMBL4908697

COCC(=O)Nc1cc(C(=O)N2CCC(C)Nc3ccccc32)ccc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.36
GHSR Q92847 4/20 0.35
MAPK14 Q16539 2/20 0.35
NOTUM Q6P988 1/20 0.34
ROCK2 O75116 1/20 0.34
CTSK P43235 1/20 0.34
MAP3K11 Q16584 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CHEK1 O14757 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL4907077 0.93 GHSR (0.36) OXTRGHSRMAPK14ROCK2CTSK
SCHEMBL4914233 0.93 OXTR (0.38) OXTRGHSRMAPK14CTSKMAP3K11
SCHEMBL4910857 0.92 OXTR (0.37) OXTRGHSRMAPK14CTSKMAP3K11
SCHEMBL4910848 0.91 OXTR (0.37) OXTRGHSRMAPK14CTSKMAP3K11
SCHEMBL4911982 0.91 OXTR (0.38) OXTRGHSRMAPK14ROCK2CTSK
SCHEMBL4910896 0.90 OXTR (0.38) OXTRGHSRMAPK14CTSKMAP3K11
SCHEMBL4912268 0.89 OXTR (0.39) OXTRGHSRMAPK14MAP3K11GPBAR1
SCHEMBL4914441 0.89 OXTR (0.39) OXTRGHSRMAPK14MAP3K11GPBAR1
SCHEMBL4914201 0.89 OXTR (0.39) OXTRGHSRMAPK14MAP3K11GPBAR1
SCHEMBL4904155 0.89 OXTR (0.39) OXTRGHSRMAPK14MAP3K11GPBAR1

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 908/4885GHSR 405/4885MAPK14 1799/4885

“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.