SCHEMBL7031908

SCHEMBL7031908

CN1CCC(N(C)S(=O)(=O)c2ccc(N)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.63
HTR2C P28335 17/20 0.63
L3MBTL1 Q9Y468 3/20 0.62
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL14625270 0.91 HTR2A (0.76) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL6034181 0.86 HTR2A (0.63) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL6034633 0.82 HTR2A (0.60) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL27895777 0.81 ALDH1A1 (0.57) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL7025996 0.80 L3MBTL1 (0.86) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL14624892 0.80 HTR2A (0.56) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL14045250 0.79 HTR2A (0.58) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL14624766 0.79 ALDH1A1 (0.51) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL14625157 0.79 ALDH1A1 (0.49) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL14045243 0.79 HTR2A (0.54) HTR2AHTR2CL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322602-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2003-07-02 EP disclosed
US-6399824-B1 FOR THERAPY AND PROPHYLAXIS OF ARRHYTHMIAS, CARDIAC INFRACTION, ISCHEMIC CONDITIONS, ANGINA PECTORIS, SHOCK, FOR PRESERVING AND STORING A TRANSPLANT FOR SURGICAL MEASURE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
US-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH. 2002-05-16 US disclosed
WO-2002024637-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-28 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-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM GANC, GMPS, GCDH HTR2A 2928/4885HTR2C 2232/4885L3MBTL1 4835/4885

“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.