SCHEMBL18886901

SCHEMBL18886901

Cc1ccc(C2(CCNCc3ccc(Cl)cc3)CCOC(C)(C)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.65
HTR1A P08908 2/20 0.62
HTR7 P34969 2/20 0.62
HTR6 P50406 2/20 0.62
ICMT O60725 12/20 0.58
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL18886985 0.94 OPRM1 (0.71) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL12697599 0.89 OPRM1 (0.65) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL19614667 0.89 OPRM1 (0.82) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL12541950 0.89 OPRM1 (0.81) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL12614616 0.88 ICMT (0.63) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL18887063 0.87 OPRM1 (0.63) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL13546104 0.87 OPRM1 (0.66) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL12542153 0.87 ICMT (0.63) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL18886932 0.83 OPRM1 (0.63) OPRM1HTR1AHTR7HTR6ICMT
SCHEMBL12541565 0.83 OPRM1 (0.67) OPRM1HTR1AHTR7HTR6ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588889-B2 Methods of treating hyperalgesia TREVENA, INC. (US) 2020-03-17 US disclosed
EP-3290415-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME Trevena, Inc. (US) 2018-03-07 EP disclosed
US-20170333385-A1 Methods of Treating Hyperalgesia TREVENA, INC. 2017-11-23 US disclosed
EP-2688403-B1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA INC (US) 2017-05-31 EP 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-20170333385-A1 Methods of Treating Hyperalgesia OPRL1, OPRK1, CHAT OPRM1 35/4885HTR1A 313/4885HTR7 436/4885
US-10588889-B2 Methods of treating hyperalgesia OPRL1, OPRK1, CHAT OPRM1 35/4885HTR1A 313/4885HTR7 436/4885

“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.