SCHEMBL514922

SCHEMBL514922

Cc1ccc(C#N)c(N2CCC(=O)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
KDM4E B2RXH2 10/20 0.42
ALDH1A1 P00352 9/20 0.42
ALOX15 P16050 5/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
TSHR P16473 5/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
Piperidine SCHEMBL10475846 0.90 HRH4 (0.47) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL15831807 0.85 HRH4 (0.56) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL15831793 0.84 HRH4 (0.61) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL6949334 0.84 HRH4 (0.55) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL14781363 0.83 HRH4 (0.60) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL2553146 0.83 HRH4 (0.60) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL7066926 0.83 HRH4 (0.60) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL2527319 0.80 HRH4 (0.61) HRH4KDM4EALDH1A1ALOX15CASP1
SCHEMBL6821415 0.80 ALDH1A1 (0.58) HRH4KDM4EALDH1A1CASP1CASP7
SCHEMBL1735639 0.80 HRH4 (0.57) HRH4KDM4EALDH1A1ALOX15CASP1

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 2 patents. 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
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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 (2 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 45/4885KDM4E 4191/4885ALDH1A1 2444/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 HRH4 55/4885KDM4E 3490/4885ALDH1A1 2610/4885

“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.