SCHEMBL3178079

SCHEMBL3178079

CCCCOc1cc(O)c2c3c1C[C@@H]1[C@@H]4CCC(=O)[C@H](O2)[C@]34CCN1C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.60
OPRM1 P35372 5/20 0.60
OPRK1 P41145 3/20 0.60
LMNA P02545 1/20 0.54
PDE4D Q08499 1/20 0.54
MRGPRX2 Q96LB1 1/20 0.54
SIGMAR1 Q99720 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 SCHEMBL3181605 0.99 OPRD1 (0.59) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3175035 0.90 OPRD1 (0.63) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3172796 0.89 OPRK1 (0.57) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3181635 0.89 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D
Hydrochloric Acid SCHEMBL6365537 0.88 OPRK1 (0.56) OPRD1OPRM1OPRK1LMNAPDE4D
Hydrochloric Acid SCHEMBL3167849 0.88 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL1894961 0.85 OPRD1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3687986 0.85 OPRD1 (0.71) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4633722 0.84 OPRD1 (0.47) OPRD1OPRM1OPRK1LMNAPDE4D
Hydrochloric Acid SCHEMBL3177124 0.83 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655671-B2 Morphinan derivatives, the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH (AT) 2010-02-02 US disclosed
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
EP-1554282-A2 MORPHINAN DERIVATIVES THE QUATERNARY AMMONIUM SALTS THEREOF SUBSTITUTED IN POSITION 14, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-07-20 EP disclosed
WO-2004005294-A2 MORPHINAN DERIVATIVES THE QUATERNARY AMMONIUM SALTS THEREOF SUBSTITUTED IN POSITION 14, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2004-01-15 WO 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 OPRD1 2/4885OPRM1 1/4885OPRK1 3/4885
US-20080064712-A1 Morphinan derivatives, the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885OPRK1 3/4885

“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.