SCHEMBL6927643

SCHEMBL6927643

CCN1CCN(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
RAD52 P43351 2/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNA7 P36544 1/20 0.55
DRD2 P14416 3/20 0.49
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 3/20 0.45
CHRM1 P11229 1/20 0.45
KHK P50053 2/20 0.45
ALOX15 P16050 1/20 0.45
DRD3 P35462 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 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
SCHEMBL24783780 0.85 GAA (0.53) GAARAD52MAPTKDM4EGFER
SCHEMBL4950137 0.85 GAA (0.69) GAARAD52MAPTKDM4EGFER
SCHEMBL20236435 0.85 GAA (0.53) GAARAD52MAPTKDM4EGFER
SCHEMBL26074517 0.82 GAA (0.50) GAARAD52MAPTKDM4EGFER
SCHEMBL26075862 0.82 GAA (0.50) GAARAD52MAPTKDM4EGFER
SCHEMBL25124411 0.82 DRD2 (0.56) GAARAD52MAPTKDM4EGFER
SCHEMBL23102236 0.82 KDM4E (0.50) GAARAD52MAPTKDM4EGFER
SCHEMBL24301066 0.81 GAA (0.49) GAARAD52MAPTKDM4EGFER
SCHEMBL7903765 0.79 MAPT (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL8322549 0.79 HTR3A (0.55) GAAMAPTKDM4EGFERSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP claimed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO claimed
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
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 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 (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 GAA 3494/4885RAD52 4251/4885MAPT 910/4885
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 GAA 2977/4885RAD52 4416/4885MAPT 807/4885
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 GAA 2977/4885RAD52 4416/4885MAPT 807/4885
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 GAA 2820/4885RAD52 4535/4885MAPT 796/4885

“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.