SCHEMBL4633632

SCHEMBL4633632

O=C1c2ccccc2C(=O)N1CC1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1B1 Q16678 4/20 0.49
ACHE P22303 3/20 0.46
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PARP1 P09874 1/20 0.42
TRPA1 O75762 1/20 0.42
KEAP1 Q14145 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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 SCHEMBL6164165 0.98 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL8221682 0.90 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL1581709 0.87 CYP1B1 (0.59) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL4632588 0.83 ACHE (0.68) CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL28872170 0.83 CYP1B1 (0.52) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
Cyanide SCHEMBL27937317 0.82 CYP1B1 (0.55) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL30657539 0.82 CYP1B1 (0.62) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL8247166 0.82 CYP1B1 (0.62) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
SCHEMBL1413616 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP1B1ACHE
Hydrochloric Acid SCHEMBL11718055 0.82 ACHE (0.66) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586612-B2 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
EP-1828131-B1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-04 EP disclosed
US-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
EP-1828131-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063722-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 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-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A3, ATP2A2 CYP1A2 2765/4885CYP2C9 2583/4885CYP2C19 2835/4885

“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.