SCHEMBL3436730

SCHEMBL3436730

Cc1cccnc1N1CCN(C(=O)C2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.52
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
SMO Q99835 1/20 0.46
KCNH2 Q12809 2/20 0.46
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3436582 0.95 POLB (0.52) TRPV1TSHRMAPTMEN1KMT2A
SCHEMBL3436723 0.91 HTT (0.52) TRPV1TSHRMAPTMEN1KMT2A
SCHEMBL3436725 0.85 ELANE (0.53) TRPV1TSHRMAPTKMT2AMALT1
SCHEMBL3436727 0.85 KMT2A (0.52) TRPV1MEN1KMT2AMALT1SMO
SCHEMBL3436729 0.84 CHRM4 (0.55) TRPV1TSHRMAPTMEN1KMT2A
SCHEMBL3086917 0.82 CNR2 (0.52) TRPV1TSHRMAPTMEN1KMT2A
SCHEMBL3436732 0.81 HRH3 (0.48) TRPV1TSHRMEN1KMT2APOLB
SCHEMBL3436738 0.81 TRPV1 (0.50) TRPV1TSHRMAPTMEN1KMT2A
SCHEMBL3436721 0.80 ALOX15 (0.58) TSHRMAPTKMT2ASMN1; SMN2POLB
SCHEMBL3436733 0.80 MALT1 (0.53) TRPV1MALT1SMOALDH1A1

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 TRPV1 3/4885TSHR 867/4885MAPT 1330/4885

“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.