SCHEMBL2249928

SCHEMBL2249928

CC(OC1CN(C(=O)O)C1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.44
CYP19A1 P11511 3/20 0.44
FAAH O00519 5/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CD O00329 1/20 0.35
DPP4 P27487 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 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
SCHEMBL2250098 0.82 IDO1 (0.44) CYP17A1CYP19A1NPC1MAPK1
SCHEMBL23211857 0.82 TACR1 (0.45) DPP4
SCHEMBL14992804 0.73 EPHX2 (0.46) GAA
SCHEMBL20588202 0.72 S1PR5 (0.40) KMT2A
SCHEMBL20585678 0.72 S1PR5 (0.40) KMT2A
SCHEMBL20589200 0.72 S1PR5 (0.40) KMT2A
SCHEMBL20585676 0.72 S1PR5 (0.40) KMT2A
SCHEMBL20589198 0.72 S1PR5 (0.40) KMT2A
SCHEMBL20585675 0.72 S1PR5 (0.40) KMT2A
SCHEMBL18429013 0.72 CHRM2 (0.49) HRH3KCNH2MAPK1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 CYP17A1 1477/4885CYP19A1 580/4885FAAH 668/4885

“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.