SCHEMBL10240500

SCHEMBL10240500

O=S(=O)(Nc1cccc2c1CNCC2)c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
PNMT P11086 5/20 0.43
GHSR Q92847 1/20 0.41
CCKBR P32239 1/20 0.41
PDPK1 O15530 1/20 0.39
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
CCR4 P51679 1/20 0.38
PRCP P42785 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
HTR2C P28335 3/20 0.36
HTR2B P41595 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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 SCHEMBL9958689 0.99 HTR6 (0.47) HTR6PNMTGHSRCCKBRPDPK1
SCHEMBL10239550 0.91 HTR6 (0.46) HTR6PNMTGHSRCCKBRPDPK1
Hydrochloric Acid SCHEMBL9956941 0.90 HTR6 (0.45) HTR6PNMTGHSRCCKBRPDPK1
SCHEMBL10238852 0.81 HTR6 (0.51) HTR6PNMTGHSRPRCPALDH1A1
Hydrochloric Acid SCHEMBL9960332 0.81 HTR6 (0.50) HTR6PNMTGHSRPRCPALDH1A1
SCHEMBL10239559 0.79 PNMT (0.47) HTR6PNMTGHSRPRCPADRA2A
SCHEMBL10238650 0.79 PNMT (0.46) PNMTGHSRPRCPALDH1A1
SCHEMBL10238666 0.78 CCKBR (0.44) HTR6GHSRCCKBRPDPK1CCR1
SCHEMBL13757765 0.78 HTR6 (0.52) HTR6PNMTGHSRCCKBRPDPK1
Hydrochloric Acid SCHEMBL9960120 0.78 PNMT (0.46) HTR6PNMTGHSRPRCPADRA2A

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 35/4885GHSR 1192/4885

“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.