SCHEMBL946715

SCHEMBL946715

O=[N+]([O-])c1c(N2CCC(c3ccccc3)CC2)ccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
DHFR P00374 1/20 0.43
GRM2 Q14416 13/20 0.42
TRPV6 Q9H1D0 1/20 0.38
IP6K1 Q92551 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL949823 0.85 DHFR (0.52) MAPTDHFRGRM2MITFHTT
SCHEMBL746858 0.80 GRM2 (0.51) DHFRGRM2
SCHEMBL28155406 0.79 MAPT (0.50) MAPTMITFHTTSMN1; SMN2
SCHEMBL10819324 0.78 DHFR (0.48) DHFRGRM2
SCHEMBL12518930 0.77 CUL4A (0.35) MAPTMITFHTTSMN1; SMN2
SCHEMBL19139385 0.76 DHFR (0.43) DHFRGRM2
SCHEMBL746825 0.75 GRM2 (0.51) DHFRGRM2
SCHEMBL17381846 0.74 GSK3B (0.43) MAPTMITFHTTSMN1; SMN2
SCHEMBL31321130 0.73 CYP3A4 (0.39) MAPTMITFHTTSMN1; SMN2
SCHEMBL23043784 0.73 HTT (0.54) MAPTDHFRGRM2MITFHTT

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
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
EP-2220083-A2 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-08-25 EP 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 MAPT 2371/4885DHFR 1972/4885GRM2 1/4885

“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.