SCHEMBL1110459

SCHEMBL1110459

CN(C)CCNc1cc[c]nn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
DNM2 P50570 11/20 0.42
HRH4 Q9H3N8 1/20 0.41
NCF1 P14598 2/20 0.37

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
SCHEMBL6981060 0.80 ESR1 (0.37)
SCHEMBL10356814 0.75 CYP2C19 (0.50) CYP2C19HRH3DNM2HRH4NCF1
SCHEMBL4071330 0.72 CYP2C19 (0.56) CYP2C19HRH3DNM2HRH4NCF1
SCHEMBL933094 0.72 CYP2C19 (0.56) CYP2C19HRH3DNM2HRH4NCF1
SCHEMBL1110422 0.70 CYP2C19 (0.49) CYP2C19HRH3DNM2HRH4
SCHEMBL1318627 0.70 CYP2C19 (0.49) CYP2C19HRH3DNM2HRH4
SCHEMBL1110183 0.67 CYP2C19 (0.49) CYP2C19HRH3DNM2HRH4
SCHEMBL932573 0.67 CYP2C19 (0.53) CYP2C19HRH3DNM2HRH4NCF1
SCHEMBL7121214 0.66 CYP2C19 (0.56) CYP2C19HRH3DNM2HRH4
SCHEMBL31260395 0.66 CYP2C19 (0.56) CYP2C19HRH3DNM2HRH4

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
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP claimed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CYP2C19 272/4885HRH3 811/4885DNM2 4298/4885

“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.