SCHEMBL6926360

SCHEMBL6926360

Fc1ccc(COC2CCNCC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A2 P23975 8/20 0.51
SLC6A3 Q01959 8/20 0.51
KCNH2 Q12809 1/20 0.51
HTR6 P50406 1/20 0.51
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
HTR1A P08908 4/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
HTR4 Q13639 1/20 0.46
NAAA Q02083 2/20 0.43
GRM2 Q14416 1/20 0.40

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
SCHEMBL3129985 0.92 HTR6 (0.46) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL14813944 0.85 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL16771120 0.85 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL27246487 0.84 IDO1 (0.51) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL3128370 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL3122107 0.81 IDO1 (0.49) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL19921471 0.81 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL25325640 0.80 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL4139586 0.80 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL4139590 0.80 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KCNH2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 SLC6A4 138/4885SLC6A2 177/4885SLC6A3 106/4885

“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.