SCHEMBL4909135

SCHEMBL4909135

CCCN1CCN(OC(=O)c2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2-c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
DRD2 P14416 7/20 0.36
DRD3 P35462 6/20 0.36
MAPK14 Q16539 2/20 0.36
DRD4 P21917 1/20 0.35
OXTR P30559 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.33
GHSR Q92847 1/20 0.32

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
SCHEMBL14258875 0.91 ACHE (0.38) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4909920 0.88 ACHE (0.42) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4910784 0.88 HRH3 (0.39) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4911944 0.86 DRD3 (0.41) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4909190 0.86 ACHE (0.41) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4908640 0.86 ACHE (0.41) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4914320 0.85 ALDH1A1 (0.37) ACHEHTR4DRD2DRD3MAPK14
SCHEMBL4901147 0.85 KDM4E (0.38) ACHEHTR4MAPK14OXTRGPBAR1
SCHEMBL5242825 0.84 OXTR (0.40) MAPK14OXTRGPBAR1ACACBACACA
SCHEMBL4912744 0.84 MAPK14 (0.38) MAPK14OXTRGPBAR1GHSR

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 2 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
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.