SCHEMBL3860705

SCHEMBL3860705

CN(C(=O)C#Cc1ccc(COS(C)(=O)=O)cc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
CHRM1 P11229 2/20 0.36
MCHR1 Q99705 2/20 0.36
STAT3 P40763 3/20 0.36
HTR2A P28223 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
MMP16 P51512 2/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
GPR183 P32249 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL3866501 0.83 CHRM1 (0.41) MMP2MMP9CHRM1MCHR1HTR2A
SCHEMBL3860703 0.79 CHRM1 (0.43) CHRM1MCHR1PPARGPPARAADAMTS5
SCHEMBL3863301 0.77 MCHR1 (0.62) CHRM1MCHR1HTR2AGPR183ACACB
SCHEMBL3861766 0.76 MCHR1 (0.64) CHRM1MCHR1HTR2AGPR183
SCHEMBL3859586 0.74 HRH3 (0.51) CHRM1MCHR1HTR2AGPR183
SCHEMBL28290036 0.73 NPSR1 (0.60) HTR2A
SCHEMBL5697498 0.72 KMT2A (0.49) MAOAMAOB
SCHEMBL13683395 0.71 MCHR1 (0.52) CHRM1MCHR1HTR2AGPR183
Water SCHEMBL27454005 0.71 KMT2A (0.47) MAOAMAOB
SCHEMBL19845815 0.69 CA2 (0.52) MMP9

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 MMP2 3246/4885MMP9 4601/4885CHRM1 103/4885

“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.