SCHEMBL15831798

SCHEMBL15831798

Cc1ccc(C#N)c(N2CCC(c3ccccc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
GRM2 Q14416 12/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHFR P00374 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL4603886 0.85 GRM2 (0.47) HRH4GRM2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2527876 0.82 GRM2 (0.43) GRM2DHFR
SCHEMBL15831822 0.82 RXFP1 (0.58) HRH4ALDH1A1KDM4ERXFP1ALOX15
SCHEMBL2527319 0.81 HRH4 (0.61) HRH4ALDH1A1KDM4ESMN1; SMN2ALOX15
SCHEMBL15831812 0.81 HRH4 (0.51) HRH4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL15831793 0.79 HRH4 (0.61) HRH4ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL6949334 0.79 HRH4 (0.55) HRH4ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL7066926 0.78 HRH4 (0.60) HRH4ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL14781363 0.78 HRH4 (0.60) HRH4ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL2553146 0.78 HRH4 (0.60) HRH4ALDH1A1KDM4ESMN1; SMN2RXFP1

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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 HRH4 45/4885GRM2 685/4885ALDH1A1 2444/4885

“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.