SCHEMBL10819306

SCHEMBL10819306

CC1(C)CC(F)(F)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
NOTUM Q6P988 1/20 0.33
KDM1A O60341 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL30695310 0.84 HTR2A (0.39) HTR2ANOTUMKDM1AGAASMN1; SMN2
SCHEMBL2353102 0.84 HTR2A (0.39) HTR2ANOTUMKDM1AGAASMN1; SMN2
SCHEMBL29988218 0.81 MAOB (0.37) HTR2AMAOAMAOBPDK2
SCHEMBL5694129 0.77 HTR2A (0.35) HTR2ANOTUMKDM1AGAASMN1; SMN2
SCHEMBL29548964 0.77 HTR2A (0.35) HTR2ANOTUMKDM1AGAASMN1; SMN2
SCHEMBL28357421 0.73 HTR2A (0.33) HTR2ANOTUMKDM1AGAASMN1; SMN2
SCHEMBL501768 0.73 RXRA (0.42) HTR2ANOTUMKDM1A
SCHEMBL22202254 0.73 MAOB (0.33) KDM1AMAOAMAOBPDK2
SCHEMBL29608943 0.73 RXRA (0.42) HTR2ANOTUMKDM1A
Benzene SCHEMBL1140991 0.70 RXRA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HTR2A 47/4885NOTUM 3913/4885KDM1A 1277/4885
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 HTR2A 43/4885NOTUM 3973/4885KDM1A 1324/4885
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 HTR2A 41/4885NOTUM 3885/4885KDM1A 1298/4885

“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.