SCHEMBL3870677

SCHEMBL3870677

NC(=O)c1c[c]ccc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
IKBKB O14920 7/20 0.42
CHUK O15111 4/20 0.42
BCAT2 O15382 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PARP1 P09874 2/20 0.40
LIMK1 P53667 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
MAP4K4 O95819 4/20 0.38

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
SCHEMBL4924163 0.83 IKBKB (0.43) IKBKBCHUKBCAT2SLC6A4SLC6A3
SCHEMBL2637648 0.83 BCAT2 (0.61) CASP1IKBKBCHUKBCAT2PARP1
SCHEMBL4929079 0.81 CASP1 (0.49) CASP1BCAT2PARP1MAP4K4
SCHEMBL2744893 0.81 SMN1; SMN2 (0.50) CASP1IKBKBPARP1LIMK1KDM4E
SCHEMBL3119391 0.80 CASP1 (0.48) CASP1IKBKBBCAT2PARP1KDM4E
SCHEMBL3225405 0.77 SMN1; SMN2 (0.50) PARP1KDM4EALDH1A1GAA
SCHEMBL3162916 0.75 IKBKB (0.42) IKBKBBCAT2PARP1KDM4EALDH1A1
SCHEMBL3343827 0.75 BCAT2 (0.36) IKBKBCHUKBCAT2PARP1MAP4K4
SCHEMBL11138240 0.75 CASP1 (0.45) CASP1IKBKBCHUKSLC6A4SLC6A3
SCHEMBL197002 0.75 BCAT2 (0.71) CASP1IKBKBCHUKBCAT2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 CASP1 3409/4885IKBKB 1888/4885CHUK 1307/4885

“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.