SCHEMBL3437038

SCHEMBL3437038

CN1CCN(CCCN2CCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.62
PAOX Q6QHF9 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL12578821 0.97 HRH3 (0.57) HRH3PAOXCYP1A2MAPK1SMN1; SMN2
SCHEMBL13887133 0.92 HRH3 (0.52) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL5500538 0.90 HRH3 (0.50) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL19826457 0.89 HRH3 (0.52) HRH3PAOXCYP1A2MAPT
SCHEMBL2056177 0.89 HRH3 (0.52) HRH3PAOXCYP1A2MAPT
SCHEMBL14500306 0.89 PAOX (0.54) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL6657767 0.89 PAOX (0.54) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL5507506 0.88 HRH3 (0.48) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL5510919 0.88 HRH3 (0.48) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL2616296 0.86 PRMT6 (0.48) HRH3PAOXSIGMAR1

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 6 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
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US 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 338/4885PAOX 3317/4885CYP1A2 1955/4885

“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.