SCHEMBL3556060

SCHEMBL3556060

Cc1cc(CC=O)ccc1N1CCC(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
ALDH1A3 P47895 2/20 0.44
HTT P42858 2/20 0.43
GAA P10253 5/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
NR4A1 P22736 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
CSF1R P07333 1/20 0.38
CTPS1 P17812 1/20 0.38

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
SCHEMBL3550809 0.79 ALDH1A1 (0.71) ALDH1A1ALDH1A3HTTGAAKDM4E
SCHEMBL29990141 0.73 ALDH1A1 (0.71) ALDH1A1HTTGAAKDM4EPOLB
SCHEMBL24865510 0.73 ALDH1A1 (0.71) ALDH1A1HTTGAAKDM4EPOLB
SCHEMBL8261938 0.71 ALDH1A1 (0.47) ALDH1A1HTTGAAKDM4EPOLB
SCHEMBL25512314 0.71 GAA (0.48) ALDH1A1ALDH1A3HTTGAAKDM4E
SCHEMBL2095415 0.69 KMT2A (0.65) ALDH1A1HTTGAAHPGDSMN1; SMN2
SCHEMBL20883759 0.68 CYP2D6 (0.40) ALDH1A1ALDH1A3GAANR4A1MEN1
SCHEMBL2560484 0.67 ALDH1A1 (0.37) ALDH1A1HTTGAAPOLBMEN1
SCHEMBL3566647 0.67 HTR3E (0.55) ALDH1A1ALDH1A3POLBHPGDSMN1; SMN2
SCHEMBL3436346 0.67 ALDH1A1 (0.46) ALDH1A1GAAKDM4EPOLBSMN1; SMN2

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 738/4885HTT 4067/4885

“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.