SCHEMBL10240571

SCHEMBL10240571

O=S(=O)(Nc1ccc2c(c1)CNCC2)c1ccc(F)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.53
PNMT P11086 3/20 0.52
HTR2C P28335 3/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
DRD3 P35462 1/20 0.48
FABP4 P15090 7/20 0.46
FABP5 Q01469 4/20 0.46
HTR2B P41595 2/20 0.44
MELK Q14680 1/20 0.44
BRD4 O60885 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL9959737 0.99 HTR6 (0.52) HTR6PNMTHTR2CDRD2HTR2A
SCHEMBL13757764 0.95 HTR6 (0.53) HTR6PNMTHTR2CDRD2HTR2A
Hydrochloric Acid SCHEMBL9960336 0.94 HTR6 (0.52) HTR6PNMTHTR2CDRD2HTR2A
SCHEMBL10239980 0.86 HTR6 (0.53) HTR6PNMTHTR2CDRD2HTR2A
SCHEMBL10240580 0.86 PNMT (0.55) HTR6PNMTHTR2CDRD2HTR2A
Hydrochloric Acid SCHEMBL9959470 0.85 PNMT (0.54) HTR6PNMTHTR2CDRD2HTR2A
Hydrochloric Acid SCHEMBL9960329 0.85 HTR6 (0.52) HTR6PNMTHTR2CDRD2HTR2A
SCHEMBL10238657 0.84 HTR6 (0.55) HTR6PNMTHTR2CDRD2HTR2A
Hydrochloric Acid SCHEMBL9960412 0.83 HTR6 (0.54) HTR6PNMTHTR2CDRD2HTR2A
SCHEMBL3351109 0.83 FABP4 (0.43) FABP4FABP5BRD4

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
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 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 (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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 HTR6 1/4885PNMT 35/4885HTR2C 6/4885

“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.