SCHEMBL4909950

SCHEMBL4909950

CC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(NCCCN)c2)c2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
OXTR P30559 1/20 0.36
AR P10275 1/20 0.35
MAPK14 Q16539 2/20 0.35
GHSR Q92847 5/20 0.34
CTSK P43235 1/20 0.34
MAP3K11 Q16584 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
ACP1 P24666 1/20 0.33
HSD11B1 P28845 1/20 0.33
TGFBR1 P36897 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
SCHEMBL4910848 0.88 OXTR (0.37) SMYD3OXTRARMAPK14GHSR
SCHEMBL4904155 0.88 OXTR (0.39) OXTRARMAPK14GHSRMAP3K11
SCHEMBL4911977 0.88 OXTR (0.40) OXTRARMAPK14GHSRMAP3K11
SCHEMBL4907961 0.87 GHSR (0.38) SMYD3OXTRMAPK14GHSRGPBAR1
SCHEMBL4911956 0.87 GHSR (0.38) SMYD3OXTRMAPK14GHSRGPBAR1
SCHEMBL4901046 0.87 GHSR (0.38) SMYD3OXTRMAPK14GHSRGPBAR1
SCHEMBL4914233 0.86 OXTR (0.38) SMYD3OXTRMAPK14GHSRCTSK
SCHEMBL4904698 0.86 S1PR1 (0.42) OXTRMAPK14GHSRMAP3K11HSD11B1
SCHEMBL4910783 0.86 S1PR1 (0.42) OXTRMAPK14GHSRMAP3K11HSD11B1
SCHEMBL4914201 0.86 OXTR (0.39) OXTRMAPK14GHSRMAP3K11GPBAR1

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 SMYD3 3421/4885OXTR 908/4885AR 633/4885

“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.