SCHEMBL8046465

SCHEMBL8046465

CCN1CCC(O)(c2cccc(OC)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
OPRM1 P35372 2/20 0.62
OPRD1 P41143 2/20 0.62
OPRK1 P41145 2/20 0.62
OPRL1 P41146 2/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 2/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
GRIN2B Q13224 3/20 0.48
TP53 P04637 1/20 0.48
DRD4 P21917 1/20 0.46

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
SCHEMBL6602373 0.85 ALDH1A1 (0.51) ALDH1A1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL31690773 0.84 ALDH1A1 (0.62) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4816046 0.84 ALDH1A1 (0.80) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL10389866 0.84 OPRM1 (0.67) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL31557718 0.83 OPRM1 (0.64) ALDH1A1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6288091 0.83 ALDH1A1 (0.78) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL31690785 0.82 ALDH1A1 (0.60) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL23384015 0.81 OPRM1 (0.71) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1660644 0.80 OPRM1 (0.61) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6831189 0.80 OPRM1 (0.61) ALDH1A1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220083-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
US-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2009062676-A2 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
US-5972962-A Treatment of pruritus PFIZER INC. (US) 1999-10-26 US disclosed
EP-0938898-A2 Treatment of pruritus Pfizer Limited (GB) 1999-09-01 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 (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-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 ALDH1A1 2825/4885OPRM1 257/4885OPRD1 138/4885

“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.