SCHEMBL3436726

SCHEMBL3436726

Cc1cccnc1N1CCC(C(=O)N(C)C2CCN(C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.44
SMO Q99835 1/20 0.43
MCHR1 Q99705 2/20 0.41
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
ELANE P08246 1/20 0.40
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
VNN1 O95497 1/20 0.40
CCR5 P51681 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
SCHEMBL3436720 0.77 MALT1 (0.45) MALT1SMOKMT2ATRPV1ELANE
SCHEMBL3436718 0.76 MALT1 (0.46) MALT1KMT2AAOC3TRPV1ELANE
SCHEMBL238160 0.76 KDM4E (0.60) MALT1KMT2ATRPV1ELANEKDM4E
SCHEMBL3436393 0.75 KDM4E (0.66) MALT1KMT2ATRPV1ELANEPDE10A
SCHEMBL3436730 0.75 TRPV1 (0.52) MALT1SMOKMT2ATRPV1
SCHEMBL3436582 0.75 POLB (0.52) MALT1SMOKMT2ATRPV1
SCHEMBL3436733 0.74 MALT1 (0.53) MALT1SMOTRPV1KDM4E
SCHEMBL13939912 0.74 CCR5 (0.44) MCHR1HRH3VNN1CCR5
SCHEMBL17598999 0.72 ADRB3 (0.56) KMT2A
SCHEMBL15962970 0.72 TRPV1 (0.49) MALT1SMOKMT2ATRPV1ELANE

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 1638/4885SMO 1636/4885MCHR1 1775/4885

“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.