SCHEMBL4911940

SCHEMBL4911940

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCCCN3CCOCC3)c2)c2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
ACHE P22303 1/20 0.38
HTR4 Q13639 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OXTR P30559 1/20 0.35
CACNA1H O95180 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
SCHEMBL4907069 0.99 USP2 (0.39) USP2HRH3ACHEHTR4KDM4E
SCHEMBL4901752 0.98 USP2 (0.42) USP2HRH3ACHEHTR4KDM4E
SCHEMBL4907941 0.98 USP2 (0.42) USP2HRH3ACHEHTR4KDM4E
SCHEMBL4904408 0.96 DRD2 (0.41) USP2HRH3KDM4EDRD2DRD3
SCHEMBL4907246 0.96 DRD2 (0.41) USP2HRH3KDM4EDRD2DRD3
SCHEMBL4907011 0.96 DRD2 (0.41) USP2HRH3KDM4EDRD2DRD3
SCHEMBL14258811 0.93 ALDH1A1 (0.42) ACHEHTR4KDM4EDRD2DRD3
SCHEMBL4906989 0.93 HRH3 (0.37) USP2HRH3ACHEHTR4DRD2
SCHEMBL4909190 0.91 ACHE (0.41) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4910832 0.91 ALDH1A1 (0.40) HRH3ACHEHTR4KDM4EDRD2

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 USP2 4609/4885HRH3 734/4885ACHE 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.