SCHEMBL7951872

SCHEMBL7951872

CCCCn1ccc(N2C[C@@H]3[C@H](COc4cc(Cl)ccc4Cl)[C@@H]3C2)c(Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.49
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7951849 1.00 GRM2 (0.49) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12030204 0.84 GRM2 (0.38) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2634058 0.84 GRM2 (0.38) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12030197 0.84 GRM2 (0.38) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12049649 0.82 GRM2 (0.51) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15372413 0.82 GRM2 (0.44) GRM2
SCHEMBL7955411 0.73 GRM2 (0.71) GRM2
SCHEMBL2634083 0.73 GRM2 (0.71) GRM2
SCHEMBL12049745 0.68 CYP1A2 (0.41) GRM2CYP1A2CYP2D6CYP2C9CYP2C19
Jnj-40411813 SCHEMBL1035416 0.66 GRM2 (1.00) GRM2

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-8691849-B2 3-azabicyclo[3.1.0]hexyl derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
US-8691849-B2 3-azabicyclo[3.1.0]hexyl derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
EP-2344470-B1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-12-15 US disclosed
US-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-12-15 US disclosed
WO-2010025890-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-03-11 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 (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-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM1, GRIN2C GRM2 1/4885CYP1A2 569/4885CYP2D6 635/4885

“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.