SCHEMBL3550809

SCHEMBL3550809

Cc1cc(C=O)ccc1N1CCC(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
ALDH1A3 P47895 6/20 0.71
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 4/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 3/20 0.44
ALDH3A1 P30838 1/20 0.44
MAPT P10636 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NR4A1 P22736 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
TNNI3 P19429 1/20 0.42
MAPK1 P28482 1/20 0.42
TNNT2 P45379 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
SCHEMBL4079761 0.83 ALDH1A1 (1.00) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL15339337 0.82 ALDH1A3 (1.00) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL2557677 0.81 ALDH1A1 (0.62) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL16464268 0.79 ALDH1A1 (0.73) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL2557270 0.79 ALDH1A1 (0.59) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL2561170 0.79 ALDH1A3 (0.59) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL4941255 0.79 ALDH1A1 (0.68) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL3556060 0.79 ALDH1A1 (0.44) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL23884752 0.77 MAPT (0.62) ALDH1A1ALDH1A3SMN1; SMN2HTTMEN1
SCHEMBL29990141 0.76 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTMEN1KMT2A

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 975/4885ALDH1A3 738/4885SMN1; 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.