SCHEMBL3436732

SCHEMBL3436732

Cc1cccnc1N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MALT1 Q9UDY8 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CHRM4 P08173 1/20 0.44
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53BP1 Q12888 1/20 0.43
SMO Q99835 1/20 0.43

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 0.86 ELANE (0.53) MALT1KMT2AALDH1A1TSHRTRPV1
SCHEMBL3436582 0.83 POLB (0.52) MALT1MEN1KMT2ATSHRPOLB
SCHEMBL3436729 0.82 CHRM4 (0.55) MALT1MEN1KMT2AALDH1A1CHRM4
SCHEMBL3436723 0.82 HTT (0.52) MALT1MEN1KMT2ACHRM4TSHR
SCHEMBL3436730 0.81 TRPV1 (0.52) MALT1MEN1KMT2AALDH1A1TSHR
SCHEMBL3436721 0.81 ALOX15 (0.58) KMT2AALDH1A1TSHRPOLB
SCHEMBL3436727 0.79 KMT2A (0.52) HRH3MALT1MEN1KMT2ATRPV1
SCHEMBL3436720 0.79 MALT1 (0.45) HRH3MALT1KMT2ACHRM4TRPV1
SCHEMBL238160 0.78 KDM4E (0.60) MALT1KMT2AALDH1A1L3MBTL1TRPV1
SCHEMBL3436393 0.76 KDM4E (0.66) MALT1KMT2AALDH1A1TSHRTRPV1

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 HRH3 338/4885MALT1 1638/4885MEN1 4778/4885

“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.