SCHEMBL12110125

SCHEMBL12110125

BN1CCc2cc(O)c(C(C)=O)cc2C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.40
▸ DRD1 P21728 4/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ DRD2 P14416 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 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
SCHEMBL12110142 0.80 MAOA (0.35) MAOADRD1HIF1AHSD17B10MAPK1
SCHEMBL1295143 0.80 ESR1 (0.41) MAOADRD1HIF1AHSD17B10MAPK1
SCHEMBL1294025 0.78 ESR2 (0.46) MAOAMAPK1KDM4EMAPT
SCHEMBL11341983 0.77 AHR (0.38) MAOAHIF1AHSD17B10MAPK1DRD2
SCHEMBL12110115 0.76 PPARA (0.37) HSD17B10MAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL3783758 0.69 HSP90AA1 (0.45) DRD1HSD17B10THPODRD2TSHR
SCHEMBL12110414 0.67 GAA (0.35) HSD17B10KDM4ESMN1; SMN2
SCHEMBL4041645 0.65 HTT (0.47) HSD17B10MAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL31009038 0.65 HTT (0.47) HSD17B10MAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL3895440 0.65 HTT (0.47) HSD17B10MAPK1KDM4ESMN1; SMN2MAPT

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 MAOA 124/4885DRD1 254/4885HIF1A 4267/4885

“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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