SCHEMBL169809

SCHEMBL169809

c1ccc2c(c1)OCC1(CCNCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.49
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 4/20 0.43
OPRK1 P41145 1/20 0.43
ADRA2A P08913 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL15388704 0.86 ABCG2 (0.44) ADRA2AADRA2BADRA2CCYP1A2CYP2D6
SCHEMBL7323601 0.76 OXTR (0.40) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL6926693 0.75 KMT2A (0.48) HTR2CKCNH2KMT2A
Hydrochloric Acid SCHEMBL10632008 0.75 OXTR (0.39) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL30538343 0.74 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL231585 0.74 OPRD1 (0.49) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL471621 0.74 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL4222539 0.74 HTR2C (0.50) OPRD1HTR2CHTR2BKCNH2OPRK1
Hydrochloric Acid SCHEMBL10502202 0.73 OPRD1 (0.48) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL988766 0.73 OPRD1 (0.48) OPRD1HTR2CHTR2BKCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 EP disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP 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

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 OPRD1 138/4885HTR2C 36/4885HTR2B 55/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C OPRD1 207/4885HTR2C 31/4885HTR2B 85/4885

“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.