SCHEMBL4915013

SCHEMBL4915013

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.41
OXTR P30559 2/20 0.40
HSD11B1 P28845 2/20 0.39
CDK2 P24941 1/20 0.37
PRKCZ Q05513 1/20 0.37
WDR5 P61964 1/20 0.37
MAPK14 Q16539 3/20 0.36
CSNK1D P48730 1/20 0.36
MAPK11 Q15759 1/20 0.36
GHSR Q92847 4/20 0.36
CREBBP Q92793 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ROCK2 O75116 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
SCHEMBL4901132 0.91 PRKDC (0.40) OXTRHSD11B1MAPK14GHSR
SCHEMBL4909652 0.89 MAP3K11 (0.45) MAP3K11OXTRMAPK14GHSRCREBBP
SCHEMBL14258933 0.88 OXTR (0.42) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL4911012 0.88 OXTR (0.42) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL14258931 0.88 OXTR (0.42) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL4901059 0.87 OXTR (0.41) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL4912363 0.87 OXTR (0.41) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL4912751 0.87 OXTR (0.41) MAP3K11OXTRHSD11B1MAPK14GHSR
SCHEMBL5242825 0.86 OXTR (0.40) OXTRHSD11B1MAPK14GHSR
SCHEMBL4910107 0.86 ROCK2 (0.47) OXTRGHSRROCK2

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 MAP3K11 2846/4885OXTR 908/4885HSD11B1 101/4885

“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.