SCHEMBL9340652

SCHEMBL9340652

CC1(C)CN(c2ccc(F)cc2F)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.43
OPRM1 P35372 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
GAA P10253 1/20 0.41
NSD2 O96028 1/20 0.40
P2RY1 P47900 2/20 0.39

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
SCHEMBL8790929 0.79 MEN1 (0.56) RAB9ASMN1; SMN2RECQLL3MBTL1ALDH1A1
SCHEMBL10819381 0.76 ALDH1A1 (0.42) L3MBTL1ALDH1A1OPRM1CA12CA1
SCHEMBL8790936 0.75 SMN1; SMN2 (0.81) RAB9ASMN1; SMN2RECQLL3MBTL1ALDH1A1
SCHEMBL292608 0.74 AR (0.39) ALDH1A1OPRM1CA12CA1CA2
SCHEMBL19262553 0.74 HRH3 (0.47) OPRM1CA12CA1CA2CA4
SCHEMBL10819310 0.73 OPRM1 (0.41) RAB9ASMN1; SMN2L3MBTL1ALDH1A1OPRM1
SCHEMBL8302887 0.70 CA12 (0.55) L3MBTL1ALDH1A1OPRM1CA12CA1
SCHEMBL9160595 0.70 KDM4E (0.46) SMN1; SMN2ALDH1A1OPRM1
SCHEMBL31662966 0.69 CA12 (0.47) ALDH1A1CA12CA1CA2CA4
SCHEMBL5492768 0.69 ALDH1A1 (0.50) RAB9ASMN1; SMN2RECQLL3MBTL1ALDH1A1

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 19 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-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
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
US-20160067245-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) 2016-03-10 US disclosed
US-20160067245-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) 2016-03-10 US disclosed
US-9226930-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) 2016-01-05 US disclosed
US-9226930-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) 2016-01-05 US disclosed
US-20150141403-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) 2015-05-21 US disclosed
US-20150141403-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) 2015-05-21 US disclosed
US-8937060-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) 2015-01-20 US disclosed
US-8937060-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) 2015-01-20 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0318893-B1 Titanocenes, their use and N-substituted fluoroanilines CIBA GEIGY AG (CH) 1994-01-19 EP disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
US-5026625-A Photoinitiators for polymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
EP-0318893-A2 Titanocenes, their use and N-substituted fluoroanilines CIBA-GEIGY AG (CH) 1989-06-07 EP 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 (4 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-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 RAB9A 3282/4885SMN1; SMN2 1436/4885RECQL 2756/4885
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 RAB9A 2501/4885SMN1; SMN2 1093/4885RECQL 2623/4885
US-20160067245-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 RAB9A 2501/4885SMN1; SMN2 1093/4885RECQL 2623/4885
US-20150141403-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 RAB9A 2183/4885SMN1; SMN2 1253/4885RECQL 2530/4885

“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.