SCHEMBL3436725

SCHEMBL3436725

Cc1cccnc1N1CCC(C(=O)N2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
KDM4E B2RXH2 2/20 0.52
CYP2C19 P33261 1/20 0.52
NEK2 P51955 2/20 0.51
MALT1 Q9UDY8 4/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
SMO Q99835 1/20 0.46
RUVBL1 Q9Y265 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL238160 0.92 KDM4E (0.60) ELANEKDM4ECYP2C19NEK2MALT1
SCHEMBL3436582 0.88 POLB (0.52) MALT1KMT2ATRPV1SMOTSHR
SCHEMBL3436729 0.86 CHRM4 (0.55) ELANEKDM4ECYP2C19MALT1KMT2A
SCHEMBL3436732 0.86 HRH3 (0.48) MALT1KMT2ATRPV1SMOTSHR
SCHEMBL3436730 0.85 TRPV1 (0.52) MALT1KMT2ATRPV1SMOTSHR
SCHEMBL3436721 0.85 ALOX15 (0.58) CYP2C19KMT2ATSHRALDH1A1MAPT
SCHEMBL3436723 0.83 HTT (0.52) MALT1KMT2ATRPV1TSHRMAPT
SCHEMBL3436727 0.82 KMT2A (0.52) KDM4EMALT1KMT2ATRPV1SMO
SCHEMBL3436720 0.82 MALT1 (0.45) ELANEKDM4EMALT1KMT2ATRPV1
SCHEMBL3436393 0.80 KDM4E (0.66) ELANEKDM4ECYP2C19NEK2MALT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ELANE 2732/4885KDM4E 1834/4885CYP2C19 1395/4885

“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.