SCHEMBL8045783

SCHEMBL8045783

CCN1C2CCC1CC(c1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 11/20 0.58
SIGMAR1 Q99720 10/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 2/20 0.47
HTR1A P08908 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRL1 P41146 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
SCHEMBL1721954 0.79 SLC6A2 (0.55) SLC18A3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL633352 0.79 SLC6A2 (0.55) SLC18A3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL633351 0.79 SLC6A2 (0.55) SLC18A3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL25803074 0.74 OPRM1 (0.58) SLC18A3SIGMAR1OPRM1OPRL1
SCHEMBL14081578 0.73 CHRM1 (0.56) SLC18A3SIGMAR1
SCHEMBL2887259 0.72
SCHEMBL18711267 0.71 SLC18A3 (0.50) SLC18A3SIGMAR1DRD2HTR1ADRD4
SCHEMBL14388279 0.71 ACHE (0.49) MEN1KMT2AOPRM1OPRL1
SCHEMBL23124105 0.70 SLC18A3 (0.53) SLC18A3SIGMAR1DRD2HTR1ADRD4
Ethybenztropine SCHEMBL250681 0.70 DRD2 (0.72) SIGMAR1MEN1KMT2ADRD2DRD4

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-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
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

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 SLC18A3 1141/4885SIGMAR1 361/4885MEN1 3993/4885

“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.