SCHEMBL4909652

SCHEMBL4909652

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)N3CCN(C)CC3)c2)c2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.45
OXTR P30559 2/20 0.43
GHSR Q92847 7/20 0.40
MAPK14 Q16539 1/20 0.40
FASN P49327 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP2C9 P11712 1/20 0.38
CREBBP Q92793 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4908738 0.92 ALOX5AP (0.43) MAP3K11OXTRGHSRMAPK14FASN
SCHEMBL5242825 0.90 OXTR (0.40) OXTRGHSRMAPK14FASNACACB
SCHEMBL4915013 0.89 MAP3K11 (0.41) MAP3K11OXTRGHSRMAPK14CREBBP
SCHEMBL4912289 0.89 AR (0.41) OXTRGHSRMAPK14FASNACACB
SCHEMBL4910784 0.87 HRH3 (0.39) MAP3K11OXTRGHSRMAPK14DRD2
SCHEMBL14258931 0.87 OXTR (0.42) MAP3K11OXTRGHSRMAPK14FASN
SCHEMBL14258933 0.87 OXTR (0.42) MAP3K11OXTRGHSRMAPK14FASN
SCHEMBL4911012 0.87 OXTR (0.42) MAP3K11OXTRGHSRMAPK14FASN
SCHEMBL4910095 0.86 MAP3K11 (0.42) MAP3K11OXTRGHSRMAPK14FASN
SCHEMBL4911944 0.86 DRD3 (0.41) MAP3K11OXTRMAPK14DRD2DRD3

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 MAP3K11 2846/4885OXTR 908/4885GHSR 405/4885

“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.