SCHEMBL4909920

SCHEMBL4909920

CCCCN1CCN(CCCOC(=O)c2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2-c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
HTR4 Q13639 1/20 0.42
DRD3 P35462 5/20 0.37
DRD2 P14416 5/20 0.37
DRD4 P21917 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MAPK14 Q16539 2/20 0.35
NR4A2 P43354 1/20 0.35
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 1/20 0.34
OXTR P30559 1/20 0.34
CTSK P43235 1/20 0.33

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) ACHEHTR4DRD3DRD2DRD4
SCHEMBL4911755 0.93 HRH3 (0.37) ACHEHTR4DRD3DRD2DRD4
SCHEMBL4910784 0.92 HRH3 (0.39) ACHEHTR4DRD3DRD2DRD4
SCHEMBL4913120 0.90 ACHE (0.44) ACHEHTR4DRD3DRD2DRD4
SCHEMBL4909403 0.90 MAPK14 (0.36) MAPK14OXTR
SCHEMBL4933826 0.90 MAPK14 (0.37) DRD3DRD2MAPK14OXTR
SCHEMBL4933816 0.90 MAPK14 (0.37) DRD3DRD2MAPK14OXTR
SCHEMBL14432384 0.89 CTSK (0.34) ACHEHTR4MAPK14OXTRCTSK
SCHEMBL4914320 0.89 ALDH1A1 (0.37) ACHEHTR4DRD3DRD2HRH3
SCHEMBL14258848 0.89 OXTR (0.36) MAPK14OXTR

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 3 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

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 390/4885DRD3 176/4885

“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.