SCHEMBL4909190

SCHEMBL4909190

CCCN1CCN(CCCOc2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2-c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
DRD2 P14416 6/20 0.40
DRD3 P35462 5/20 0.40
DRD4 P21917 2/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK14 Q16539 1/20 0.37
GHSR Q92847 1/20 0.36
LTA4H P09960 1/20 0.36
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXTR P30559 1/20 0.35
MAPK1 P28482 1/20 0.35
AVPR2 P30518 1/20 0.35
ROCK2 O75116 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAP3K11 Q16584 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
SCHEMBL4908640 1.00 ACHE (0.41) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4913120 0.97 ACHE (0.44) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4915255 0.96 DRD2 (0.40) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4910877 0.96 DRD2 (0.40) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4910612 0.95 ACHE (0.43) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4910832 0.94 ALDH1A1 (0.40) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4910204 0.94 ACHE (0.41) ACHEHTR4DRD2DRD3DRD4
SCHEMBL14258748 0.94 DRD2 (0.42) ACHEHTR4DRD2DRD3DRD4
SCHEMBL4914206 0.94 DRD2 (0.39) ACHEHTR4DRD2DRD3DRD4
SCHEMBL14258811 0.94 ALDH1A1 (0.42) ACHEHTR4DRD2DRD3DRD4

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 7 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 claimed
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 claimed
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 ACHE 4657/4885HTR4 390/4885DRD2 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.