SCHEMBL3435992

SCHEMBL3435992

CCOC(=O)c1coc(N2CCC(OCC)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NLRP3 Q96P20 1/20 0.39
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE5A O76074 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL15888551 0.93 HCRTR1 (0.44) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL15888606 0.91 HCRTR1 (0.41) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL10278249 0.89 HCRTR1 (0.46) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL3436269 0.88 HCRTR1 (0.35) HCRTR1HCRTR2KDM4EKMT2AMAPT
SCHEMBL15888605 0.88 HCRTR1 (0.45) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL2078077 0.85 PTGER1 (0.36) HCRTR1HCRTR2KDM4EKMT2AMAPT
SCHEMBL15888554 0.84 HCRTR1 (0.44) HCRTR1HCRTR2NLRP3CYP1A2KDM4E
SCHEMBL2770990 0.84 HCRTR1 (0.46) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL28710578 0.84 HCRTR1 (0.46) HCRTR1HCRTR2NLRP3CYP1A2SMN1; SMN2
SCHEMBL15888574 0.83 HCRTR1 (0.42) HCRTR1HCRTR2NLRP3CYP1A2SMN1; 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 HCRTR1 983/4885HCRTR2 605/4885NLRP3 103/4885

“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.