SCHEMBL4910179

SCHEMBL4910179

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(CN3CCOCC3)c2)c2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
OXTR P30559 1/20 0.38
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
PIK3CA P42336 4/20 0.36
MTOR P42345 4/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CYP2C9 P11712 1/20 0.36
ATR Q13535 1/20 0.36
DHODH Q02127 1/20 0.36
CBLB Q13191 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL4911069 0.88 OXTR (0.40) MAPK14OXTR
SCHEMBL4901132 0.88 PRKDC (0.40) MAPK14OXTRPIK3CAMTORCYP2C9
SCHEMBL4910934 0.88 OXTR (0.39) MAPK14OXTR
SCHEMBL4904408 0.87 DRD2 (0.41) OXTRALDH1A1MAPTHSD17B10HRH3
SCHEMBL4907246 0.87 DRD2 (0.41) OXTRALDH1A1MAPTHSD17B10HRH3
SCHEMBL4907011 0.87 DRD2 (0.41) OXTRALDH1A1MAPTHSD17B10HRH3
SCHEMBL4907941 0.86 USP2 (0.42) OXTRACHEHTR4ALDH1A1MAPT
SCHEMBL4901752 0.86 USP2 (0.42) OXTRACHEHTR4ALDH1A1MAPT
SCHEMBL4908738 0.86 ALOX5AP (0.43) MAPK14OXTRPIK3CAMTORCCNC
SCHEMBL4911940 0.86 USP2 (0.40) OXTRACHEHTR4ALDH1A1MAPT

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 5 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
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 MAPK14 1799/4885OXTR 908/4885ACHE 4657/4885

“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.