SCHEMBL4632636

SCHEMBL4632636

COc1cc(OCc2ccccc2)c2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
OPRM1 P35372 4/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CHRNA7 P36544 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL3178029 0.99 GAA (0.60) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL3167721 0.91 GAA (0.57) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL3182873 0.91 GAA (0.53) GAAOPRM1OPRD1OPRK1GRIN2D
Hydrochloric Acid SCHEMBL3184875 0.91 GAA (0.56) GAAOPRM1OPRD1OPRK1GRIN2D
Hydrochloric Acid SCHEMBL3183536 0.90 GAA (0.52) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL21600228 0.84 GAA (0.73) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL22865971 0.84 GAA (0.73) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL21600566 0.84 GAA (0.73) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL16445988 0.84 GAA (0.73) GAAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL18878754 0.84 GAA (0.73) GAAOPRM1OPRD1OPRK1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554282-B1 MORPHINAN DERIVATIVES SUBSTITUTED IN POSITION 14 AND QUATERNARY AMMONIUM SALTS THEREOF, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2008-05-28 EP claimed
US-20050182258-A1 Morphinan derivatives the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-08-18 US claimed
EP-1554282-B1 MORPHINAN DERIVATIVES SUBSTITUTED IN POSITION 14 AND QUATERNARY AMMONIUM SALTS THEREOF, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2008-05-28 EP disclosed
US-20080064712-A1 Morphinan derivatives, the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH 2008-03-13 US disclosed
US-20050182258-A1 Morphinan derivatives the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-08-18 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 (2 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-20050182258-A1 Morphinan derivatives the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof OPRM1, OPRD1, OPRK1 GAA 2197/4885OPRM1 1/4885OPRD1 2/4885
US-20080064712-A1 Morphinan derivatives, the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof OPRM1, OPRD1, OPRK1 GAA 2204/4885OPRM1 1/4885OPRD1 2/4885

“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.