SCHEMBL3435641

SCHEMBL3435641

Cc1cnc(N2CCC(N)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
OPRK1 P41145 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.42
AKT2 P31751 1/20 0.41
SSTR2 P30874 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 4/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL13999697 0.84 ALDH1A1 (0.48) ALDH1A1HTTMAPK1OPRK1SMN1; SMN2
SCHEMBL3434191 0.84 ALDH1A1 (0.50) ALDH1A1HTTMAPK1OPRK1CYP1A2
SCHEMBL6512224 0.83 OPRK1 (0.49) ALDH1A1HTTMAPK1OPRK1SMN1; SMN2
SCHEMBL3436000 0.81 JAK2 (0.48) ALDH1A1HTTMAPK1OPRK1GRM5
SCHEMBL3435990 0.79 OPRK1 (0.74) ALDH1A1HTTMAPK1OPRK1POLB
SCHEMBL14334109 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPK1OPRK1SMN1; SMN2
SCHEMBL3436166 0.78 MAPT (0.57) ALDH1A1HTTMAPK1POLBMAPT
SCHEMBL20135640 0.78 SSTR2 (0.47) OPRK1AKT2SSTR2
SCHEMBL20524637 0.77 ALDH1A1 (0.49) ALDH1A1HTTMAPK1OPRK1SMN1; SMN2
SCHEMBL6949066 0.77 MAPK1 (0.49) ALDH1A1HTTMAPK1GRM5POLB

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 2 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 ALDH1A1 975/4885HTT 4067/4885MAPK1 1316/4885

“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.