SCHEMBL4904408

SCHEMBL4904408

CC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCN3CCOCC3)c2)c2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LTA4H P09960 1/20 0.39
PRKCQ Q04759 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK1 P23458 1/20 0.37
USP2 O75604 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
OXTR P30559 1/20 0.36
CHEK1 O14757 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
VCP P55072 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL4907011 1.00 DRD2 (0.41) DRD2DRD3KDM4ELTA4HPRKCQ
SCHEMBL4907246 1.00 DRD2 (0.41) DRD2DRD3KDM4ELTA4HPRKCQ
SCHEMBL4901752 0.96 USP2 (0.42) DRD2DRD3KDM4EPOLBL3MBTL1
SCHEMBL4907941 0.96 USP2 (0.42) DRD2DRD3KDM4EPOLBL3MBTL1
SCHEMBL4911940 0.96 USP2 (0.40) DRD2DRD3KDM4EPOLBL3MBTL1
SCHEMBL4907069 0.95 USP2 (0.39) DRD2DRD3KDM4EPOLBL3MBTL1
SCHEMBL4914230 0.93 DRD2 (0.44) DRD2DRD3KDM4ELTA4HPRKCQ
SCHEMBL4906956 0.93 DRD2 (0.42) DRD2DRD3KDM4ELTA4HPDGFRB
SCHEMBL4901055 0.92 DRD2 (0.40) DRD2DRD3KDM4ELTA4HPRKCQ
SCHEMBL4902468 0.92 DRD2 (0.40) DRD2DRD3KDM4ELTA4HPRKCQ

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 DRD2 170/4885DRD3 176/4885KDM4E 2138/4885

“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.