SCHEMBL6927532

SCHEMBL6927532

CN1CCC(OCc2ccc(F)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.49
PRMT6 Q96LA8 3/20 0.49
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
HTR2A P28223 9/20 0.46
GRM2 Q14416 1/20 0.45
KMT2A Q03164 1/20 0.45
PRMT8 Q9NR22 1/20 0.44
HTR1A P08908 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10819401 0.86 CARM1 (0.50) CARM1PRMT6IDO1AGXTHTR2A
SCHEMBL13003371 0.82 GRM2 (0.42) CARM1PRMT6IDO1AGXTHTR2A
SCHEMBL7332875 0.82 CARM1 (0.69) CARM1PRMT6IDO1PRMT8HTR1A
SCHEMBL3129989 0.81 GRM2 (0.43) CARM1PRMT6IDO1AGXTHTR2A
SCHEMBL3122107 0.79 IDO1 (0.49) CARM1PRMT6IDO1AGXTHTR2A
SCHEMBL6926360 0.79 SLC6A4 (0.51) IDO1AGXTHTR2AGRM2HTR1A
SCHEMBL24493305 0.78 SIGMAR1 (0.45) CARM1PRMT6PRMT8
SCHEMBL13060199 0.78 DPP4 (0.52) KMT2ASMN1; SMN2
SCHEMBL26144324 0.77 HTR2A (0.46) HTR2ASMN1; SMN2
SCHEMBL23373195 0.77 CARM1 (0.70) CARM1PRMT6IDO1AGXTKMT2A

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 4 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
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 (1 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-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 CARM1 2664/4885PRMT6 1882/4885IDO1 1145/4885

“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.