SCHEMBL12110555

SCHEMBL12110555

BN1CCc2cc3c(cc2C(C)C1)N(CCCOC)C(=O)CO3

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CHRM1 P11229 6/20 0.38
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SMPD1 P17405 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
SCHEMBL12107656 0.83 REN (0.42) RENTSHRHTR2A
SCHEMBL12333228 0.83 TSHR (0.39) RENTSHRCHRM1POLBTP53
SCHEMBL12110302 0.82 REN (0.40) RENTSHRKDM4E
SCHEMBL12110136 0.79 TSHR (0.42) RENTSHRCHRM1POLBTP53
SCHEMBL12110145 0.77 CHRM1 (0.35) CHRM1DRD2CHRM5CHRM3
SCHEMBL12110103 0.77 UTS2R (0.40) TSHRCHRM1POLBTHRBKDM4E
SCHEMBL12107648 0.77 HTR2C (0.42) TSHRHTR2A
SCHEMBL12110391 0.75 GRIN1 (0.34) CHRM1DRD2CHRM5CHRM3
SCHEMBL12105721 0.73 CHRM1 (0.40) TSHRCHRM1POLBCHRM5CHRM3
SCHEMBL12110155 0.72 TSHR (0.44) RENTSHRCHRM1POLBTP53

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 1554/4885TSHR 3270/4885CHRM1 363/4885

“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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