SCHEMBL4910784

SCHEMBL4910784

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)OCCN3CCN(C)CC3)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
DRD3 P35462 5/20 0.39
DRD2 P14416 4/20 0.39
MAP3K11 Q16584 1/20 0.37
OXTR P30559 2/20 0.36
MAPK14 Q16539 2/20 0.36
LTA4H P09960 1/20 0.35
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
DRD4 P21917 1/20 0.35
GHSR Q92847 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL4911944 0.96 DRD3 (0.41) HRH3DRD3DRD2MAP3K11OXTR
SCHEMBL4914320 0.93 ALDH1A1 (0.37) HRH3DRD3DRD2OXTRMAPK14
SCHEMBL4909920 0.92 ACHE (0.42) HRH3DRD3DRD2OXTRMAPK14
SCHEMBL4912744 0.90 MAPK14 (0.38) OXTRMAPK14GHSRGPBAR1
SCHEMBL4914230 0.89 DRD2 (0.44) DRD3DRD2MAP3K11OXTRMAPK14
SCHEMBL4911755 0.89 HRH3 (0.37) HRH3DRD3DRD2OXTRACHE
SCHEMBL14258886 0.89 KDR (0.39) OXTRMAPK14GHSRGPBAR1
SCHEMBL14432255 0.89 MAPK14 (0.36) MAP3K11OXTRMAPK14GHSRGPBAR1
SCHEMBL4909403 0.89 MAPK14 (0.36) OXTRMAPK14GHSRGPBAR1
SCHEMBL4933826 0.88 MAPK14 (0.37) DRD3DRD2OXTRMAPK14GHSR

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 HRH3 734/4885DRD3 176/4885DRD2 170/4885

“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.