SCHEMBL4534192

SCHEMBL4534192

CC1(c2ccccc2)CNCCN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
OPRM1 P35372 2/20 0.41
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL1071202 0.83 HTR2A (0.41) HTR2AOPRM1MMP2MMP9CHRNB2
SCHEMBL19482451 0.81 HTR2C (0.34) HTR2AMMP2MMP9SLC6A2SLC6A3
SCHEMBL19458987 0.81 HTR2C (0.34) HTR2AMMP2MMP9SLC6A2SLC6A3
SCHEMBL11880368 0.75 HTR2A (0.50) HTR2AOPRM1KDM1AMAOASLC6A2
SCHEMBL21312268 0.73 OPRM1 (0.42) HTR2AOPRM1KDM1AMAOAOPRK1
SCHEMBL15995119 0.73 OPRM1 (0.42) HTR2AOPRM1KDM1AMAOAOPRK1
SCHEMBL15995122 0.73 OPRM1 (0.42) HTR2AOPRM1KDM1AMAOAOPRK1
SCHEMBL13233728 0.72 HTR2A (0.52) HTR2AOPRM1
SCHEMBL10708233 0.72 OPRM1 (0.41) HTR2AOPRM1SLC6A2SLC6A3OPRK1
SCHEMBL8594823 0.72 OPRM1 (0.43) HTR2AOPRM1KDM1AMAOAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298809-B 1,2, 4-triazolo [4,3-a ] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors 杨森制药公司 2016-08-31 CN disclosed
EP-2661435-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-19 EP disclosed
US-8993591-B2 1,2,4-triazolo[4,3-a] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-03-31 US disclosed
US-20140155393-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2014-06-05 US disclosed
EP-2661435-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-11-13 EP disclosed
CN-103298809-A 1,2, 4-triazolo [4,3-a ] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICALS INC 2013-09-11 CN disclosed
WO-2012062759-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
WO-2012062759-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 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-20140155393-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 HTR2A 53/4885OPRM1 242/4885KDM1A 1317/4885

“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.