SCHEMBL3436729

SCHEMBL3436729

Cc1cccnc1N1CCC(C(=O)N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
MALT1 Q9UDY8 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
POLB P06746 1/20 0.46
ELANE P08246 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTA4H P09960 1/20 0.45
CYP2C9 P11712 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
SCHEMBL3436725 0.86 ELANE (0.53) ALDH1A1MAPTKDM4EMALT1TRPV1
SCHEMBL3436582 0.86 POLB (0.52) SMN1; SMN2MAPTHPGDMALT1TRPV1
SCHEMBL3086917 0.86 CNR2 (0.52) ALDH1A1SMN1; SMN2MAPTTRPV1MEN1
SCHEMBL3436730 0.84 TRPV1 (0.52) ALDH1A1SMN1; SMN2MAPTMALT1TRPV1
SCHEMBL3436732 0.82 HRH3 (0.48) CHRM4ALDH1A1MALT1TRPV1POLB
SCHEMBL3436723 0.82 HTT (0.52) CHRM4SMN1; SMN2MAPTHTTMALT1
SCHEMBL3436727 0.81 KMT2A (0.52) KDM4EMALT1TRPV1MEN1KMT2A
SCHEMBL3436721 0.81 ALOX15 (0.58) ALDH1A1SMN1; SMN2MAPTMAPK1POLB
SCHEMBL238160 0.80 KDM4E (0.60) ALDH1A1MAPTKDM4EHPGDMALT1
SCHEMBL3436634 0.80 CYP1A2 (0.56) ALDH1A1MAPK1TRPV1POLBTSHR

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 CHRM4 587/4885ALDH1A1 975/4885SMN1; SMN2 3601/4885

“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.