SCHEMBL12110302

SCHEMBL12110302

BN1CCc2cc3c(cc2C(C)C1)N(CCCOC)CCO3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.40
▸ MAOA P21397 3/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GLA P06280 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KCNN2 Q9H2S1 3/20 0.30
▸ KCNN3 Q9UGI6 3/20 0.30
▸ KCNN1 Q92952 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL12107698 0.82 HTR2C (0.43) REN
SCHEMBL12110555 0.82 REN (0.41) RENKDM4ETSHR
SCHEMBL14553894 0.81 USP30 (0.39) REN
SCHEMBL1293871 0.76 REN (0.45) RENHTR1ASLC6A4CYP2D6GRM5
SCHEMBL12107655 0.76 HTR2C (0.44) —
SCHEMBL12110569 0.74 USP30 (0.40) TSHR
SCHEMBL12105710 0.71 GPR119 (0.39) —
SCHEMBL12110145 0.70 CHRM1 (0.35) MAOAHTR1A
SCHEMBL18055305 0.70 REN (0.42) RENHTR1ASLC6A4GRM5TSHR
SCHEMBL14641708 0.69 GRM5 (0.41) RENHTR1ASLC6A4ALDH1A1GRM5

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 REN 1554/4885MAOA 124/4885HTR1A 16/4885

“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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