SCHEMBL16404359

SCHEMBL16404359

Clc1cnccc1N1CCC2(CC1)COc1ccccc12.O=CCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SCD O00767 2/20 0.38
AVPR1A P37288 1/20 0.35
S1PR5 Q9H228 10/20 0.34
TDO2 P48775 2/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32

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
SCHEMBL16731491 0.79 AVPR1A (0.45) AVPR1A
SCHEMBL16404358 0.78 GRM2 (0.46)
SCHEMBL6926581 0.71 IDO1 (0.45) IDO1TNKSTNKS2SCDAVPR1A
SCHEMBL17557419 0.70 IDO1 (0.41) IDO1TNKSTNKS2SCDAVPR1A
SCHEMBL6927612 0.70 IDO1 (0.42) IDO1TNKSTNKS2SCDAVPR1A
SCHEMBL16404361 0.69 CA12 (0.34)
SCHEMBL6927583 0.67 GRM2 (0.65)
SCHEMBL6926018 0.67 IDO1 (0.44) IDO1TNKSTNKS2SCDAVPR1A
SCHEMBL17557418 0.66 IDO1 (0.42) IDO1TNKSTNKS2SCDAVPR1A
SCHEMBL15236760 0.64 GRM2 (0.54)

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 IDO1 995/4885TNKS 3229/4885TNKS2 2697/4885
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 IDO1 1145/4885TNKS 3017/4885TNKS2 2437/4885
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 IDO1 1150/4885TNKS 3258/4885TNKS2 2704/4885

“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.