SCHEMBL4582082

SCHEMBL4582082

O=C(O)NCCc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
CNR1 P21554 4/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
PLAAT3 P53816 1/20 0.61
PLAAT5 Q96KN8 1/20 0.61
PLAAT2 Q9NWW9 1/20 0.61
PLAAT4 Q9UL19 1/20 0.61
NPC1 O15118 2/20 0.60
GAA P10253 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GFER P55789 1/20 0.60
IDO1 P14902 1/20 0.59
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL2774874 0.94 CNR1 (0.64) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL2773493 0.90 EPHX2 (0.70) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL16936556 0.89 CNR1 (0.60) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL6708022 0.84 L3MBTL1 (0.49) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL5574769 0.82 LMNA (0.66) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL1008891 0.82 KDM4E (0.70) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL8581580 0.82 IDO1 (0.68) TAAR1CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL1570160 0.82 CA12 (0.48) TAAR1L3MBTL1PLAAT3PLAAT5PLAAT2
SCHEMBL1437502 0.82 KDM4E (0.69) CYP1A2CYP2D6CYP2C19MAPTPLAAT3
SCHEMBL5034532 0.82 L3MBTL1 (0.50) L3MBTL1PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed
WO-2014060575-A2 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF A TETRAHYDROBENZAZEPINE COMPOUND MEDICHEM S.A. (ES) 2014-04-24 WO disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO disclosed
US-20040181094-A1 Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-09-16 US disclosed
EP-0086018-B1 PREPARING CARBAMIC ACID ESTERS ANIC S.p.A. (IT) 1985-12-18 EP 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-20040181094-A1 Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants POLR1G, PYM1, APEX1 TAAR1 2949/4885CNR1 1784/4885CYP1A2 1258/4885

“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.