SCHEMBL4909999

SCHEMBL4909999

CCC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(NC(=O)CO)c2)c2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.37
CHEK1 O14757 1/20 0.36
MAPK14 Q16539 2/20 0.35
CTSK P43235 1/20 0.35
MAP3K11 Q16584 1/20 0.34
AR P10275 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
GHSR Q92847 4/20 0.34
HSD11B1 P28845 2/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL4907843 0.93 OXTR (0.37) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4914233 0.91 OXTR (0.38) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4909733 0.89 OXTR (0.37) OXTRCHEK1MAPK14MAP3K11AR
SCHEMBL4908717 0.88 OXTR (0.40) OXTRMAPK14MAP3K11ARACHE
SCHEMBL4910857 0.87 OXTR (0.37) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4912192 0.87 OXTR (0.39) OXTRMAPK14MAP3K11ARACHE
SCHEMBL14432389 0.86 OXTR (0.36) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4910267 0.85 OXTR (0.39) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4910848 0.85 OXTR (0.37) OXTRCHEK1MAPK14CTSKMAP3K11
SCHEMBL4910896 0.84 OXTR (0.38) OXTRCHEK1MAPK14CTSKMAP3K11

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 908/4885CHEK1 4840/4885MAPK14 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.