SCHEMBL12110145

SCHEMBL12110145

BN1CCc2cc3c(cc2C(C)C1)N(CCOC)C(=O)CC3

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.35
▸ CHRM4 P08173 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ DRD3 P35462 2/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ MAOA P21397 2/20 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
SCHEMBL12110391 0.96 GRIN1 (0.34) CHRM1CHRM4CHRM5GRIN1GRIN2B
SCHEMBL12333177 0.81 ESR2 (0.36) CHRM1CHRM4CHRM5
SCHEMBL12110606 0.78 CXCR3 (0.30) —
SCHEMBL12110555 0.77 REN (0.41) CHRM1CHRM5DRD2CHRM3
SCHEMBL12333175 0.77 ESR2 (0.36) CHRM1CHRM4CHRM5
SCHEMBL12110081 0.77 CXCR3 (0.30) —
SCHEMBL14641644 0.74 ATAD2 (0.41) CHRM1GRIN1GRIN2BATAD2BRD4
SCHEMBL12107604 0.73 ATAD2 (0.39) CHRM1GRIN1GRIN2BATAD2BRD4
SCHEMBL12110302 0.70 REN (0.40) HTR1AMAOA
SCHEMBL12333333 0.69 ATAD2 (0.42) CHRM1CHRM4CHRM5GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 — — 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-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A CHRM1 363/4885CHRM4 312/4885CHRM5 190/4885

“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.

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