SCHEMBL3436720

SCHEMBL3436720

Cc1cccnc1N1CCC(C(=O)N2CCC(N(C)C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.45
TRPV1 Q8NER1 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
ELANE P08246 1/20 0.41
SMO Q99835 2/20 0.41
VNN1 O95497 1/20 0.40
TTK P33981 1/20 0.40
ATR Q13535 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
SCHEMBL3436725 0.82 ELANE (0.53) MALT1TRPV1KMT2AKDM4ERECQL
SCHEMBL3436582 0.80 POLB (0.52) MALT1TRPV1KMT2ASMO
SCHEMBL3436729 0.79 CHRM4 (0.55) MALT1TRPV1KMT2ACHRM4KDM4E
SCHEMBL3436732 0.79 HRH3 (0.48) MALT1TRPV1HRH3KMT2ACHRM4
SCHEMBL3436730 0.78 TRPV1 (0.52) MALT1TRPV1KMT2ASMO
SCHEMBL3436721 0.78 ALOX15 (0.58) KMT2A
SCHEMBL3436726 0.77 MALT1 (0.44) MALT1TRPV1HRH3KMT2AKDM4E
SCHEMBL238160 0.77 KDM4E (0.60) MALT1TRPV1KMT2AKDM4ERECQL
SCHEMBL3436723 0.76 HTT (0.52) MALT1TRPV1KMT2ACHRM4
SCHEMBL3436393 0.76 KDM4E (0.66) MALT1TRPV1KMT2AKDM4ERECQL

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 5 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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 MALT1 1638/4885TRPV1 3/4885HRH3 338/4885

“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.