SCHEMBL8043659

SCHEMBL8043659

Cc1ccc(OCC(C)(C)O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
L3MBTL1 Q9Y468 7/20 0.49
RAB9A P51151 4/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP2C9 P11712 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HPGD P15428 4/20 0.45
NPC1 O15118 2/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL15672765 0.90 MAPT (0.53) MAPTL3MBTL1RAB9AATMNPSR1
SCHEMBL2625767 0.86 MAPT (0.51) MAPTL3MBTL1RAB9AATMNPSR1
SCHEMBL12144451 0.85 KMT2A (0.51) L3MBTL1RAB9ANPSR1HPGDNPC1
SCHEMBL17815713 0.83 MAPT (0.49) MAPTL3MBTL1RAB9AATMNPSR1
SCHEMBL17815719 0.83 ACHE (0.57) MAPTL3MBTL1RAB9ANPSR1CYP2C9
SCHEMBL20820452 0.83 MAPT (0.49) MAPTL3MBTL1RAB9AATMNPSR1
SCHEMBL12526094 0.82 VDR (0.54) MAPTL3MBTL1RAB9ACYP2C9MRGPRX4
SCHEMBL8279777 0.81 MAPT (0.50) MAPTL3MBTL1RAB9AATMNPSR1
SCHEMBL18374464 0.81 MRGPRX4 (0.47) CYP2C9MRGPRX4VDRHDAC3HDAC6
SCHEMBL13104096 0.81 CYP2C9 (0.47) MAPTRAB9ACYP2C9MRGPRX4NPC1

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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-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 (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-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 MAPT 2371/4885L3MBTL1 4753/4885RAB9A 1228/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 MAPT 1671/4885L3MBTL1 4161/4885RAB9A 1177/4885

“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.