SCHEMBL4319672

SCHEMBL4319672

CCOC1(c2ccccc2)CCOC(=O)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRL1 P41146 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
ELANE P08246 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 3/20 0.35
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
AMPD2 Q01433 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
SCHEMBL4309775 0.87 SMN1; SMN2 (0.37) OPRM1OPRL1SMN1; SMN2TP53MDM2
SCHEMBL4309714 0.69 ELANE (0.42) OPRM1OPRL1HSD11B1ELANECTSG
SCHEMBL15099396 0.69 OPRM1 (0.39) OPRM1OPRL1ELANECTSGPRTN3
Hydrochloric Acid SCHEMBL15093833 0.68 KMT2A (0.39) ELANECTSGPRTN3CYP2C19SLC6A4
SCHEMBL30211173 0.67 SMN1; SMN2 (0.42) OPRM1OPRL1SMN1; SMN2POLBCYP2C19
SCHEMBL15099421 0.67 KMT2A (0.40) ELANECTSGPRTN3CYP2C19SLC6A4
SCHEMBL16367125 0.67 FAAH (0.38) OPRM1OPRL1KCNH2AMPD2
SCHEMBL17446141 0.66 GSK3A (0.45) OPRL1MDM2ELANECTSGPRTN3
SCHEMBL4322743 0.65 CYP2C9 (0.38) OPRM1OPRL1TP53ELANECTSG
SCHEMBL4329563 0.63 CHRM2 (0.36) OPRL1TP53MDM2ELANECTSG

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 1562/4885SMN1; SMN2 902/4885

“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.