SCHEMBL10239554

SCHEMBL10239554

CN1CCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
HTR6 P50406 2/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
DRD3 P35462 1/20 0.54
RAD52 P43351 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GLO1 Q04760 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAU P00749 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46

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 SCHEMBL9960408 0.99 RAD52 (0.55) HTR7HTR6HTR1AHTR2AHTR2C
SCHEMBL10238850 0.86 HTR6 (0.52) HTR7HTR6HTR1AHTR2AHTR2C
SCHEMBL10238663 0.81 HTR7 (0.54) HTR7HTR6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL9960366 0.80 HTR7 (0.53) HTR7HTR6HTR2AHTR2CKDM4E
SCHEMBL10238662 0.79 CCR2 (0.45) HTR7HTR6HTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL9958452 0.78 CCR2 (0.44) HTR7HTR6HTR2AHTR2CDRD3
SCHEMBL13757739 0.78 DRD3 (0.60) HTR7HTR6HTR1AHTR2AHTR2C
SCHEMBL10239556 0.78 PTGES2 (0.62) HTR6DRD3MEN1KMT2AALDH1A1
SCHEMBL4030624 0.78 RAD52 (0.46) HTR7HTR6HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL9958373 0.77 PTGES2 (0.61) HTR6DRD3MEN1KMT2AALDH1A1

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 HTR7 3/4885HTR6 1/4885HTR1A 10/4885

“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.