SCHEMBL4455569

SCHEMBL4455569

CC1OC(=O)N(Cc2ccccc2)C1(c1cccnc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
OPRL1 P41146 8/20 0.42
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4454008 0.81 OPRM1 (0.40) OPRM1OPRL1GRM2CYP3A4CYP2E1
SCHEMBL22771076 0.66 HCAR2 (0.39) GRM2CYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL5754953 0.66 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19TP53MDM2
SCHEMBL3408748 0.64 OPRM1 (0.57) OPRM1OPRL1CYP3A4CHRM2ALDH1A1
SCHEMBL4484747 0.64 GRM2 (0.39) GRM2ALDH1A1
SCHEMBL12533702 0.63 ALDH1A1 (0.46) OPRM1OPRL1CHRM2TP53MDM2
SCHEMBL1921153 0.63 ALDH1A1 (0.46) OPRM1OPRL1CHRM2TP53MDM2
SCHEMBL1921154 0.63 ALDH1A1 (0.46) OPRM1OPRL1CHRM2TP53MDM2
SCHEMBL27668095 0.63 ALDH1A1 (0.46) OPRM1OPRL1CHRM2TP53MDM2
SCHEMBL4447358 0.62 ELANE (0.38) GRM2CYP2C19MEN1KMT2AALDH1A1

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 OPRM1 507/4885OPRL1 1562/4885GRM2 4432/4885

“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.