SCHEMBL6925565

SCHEMBL6925565

CCOc1c(F)cccc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
HTR1A P08908 5/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 1/20 0.52
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRB1 P08588 3/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL19262543 0.84 DRD2 (0.47) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL30952462 0.83 ADRB1 (0.57) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19709597 0.83 ADRB1 (0.57) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10819393 0.82 DRD2 (0.48) DRD2DRD3DRD4HTR2A
SCHEMBL31329482 0.81 HTR1A (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4013621 0.78 HTR1A (0.69) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8214672 0.78 BPTF (0.42) DRD2HTR2A
Hydrochloric Acid SCHEMBL5363598 0.76 HTR1A (0.54) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7524534 0.75 HTR1A (0.68) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL255189 0.75 HTR1A (0.68) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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 HTR6 87/4885HTR1A 41/4885SLC6A2 177/4885

“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.