SCHEMBL4009801

SCHEMBL4009801

O=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(CN2CCCC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCHR1 Q99705 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44

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
SCHEMBL4017743 0.90 ACHE (0.48) ACHEALDH1A1POLBMAPK1MAPT
SCHEMBL4006678 0.87 ACHE (0.55) ACHEALDH1A1POLBGAAMAPT
SCHEMBL4008085 0.86 ACHE (0.56) ACHEALDH1A1POLBKDM4EMAPK1
SCHEMBL4008986 0.85 NPC1 (0.55) ALDH1A1MAPK1GAAMAPTLMNA
SCHEMBL4008040 0.85 MEN1 (0.49) GAAMAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL4008953 0.81 SMN1; SMN2 (0.45) ACHEALDH1A1POLBKDM4EMAPK1
SCHEMBL4009877 0.80 MEN1 (0.51) GAAMAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL13683776 0.80 CYP3A4 (0.52) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL4005211 0.80 MEN1 (0.47) ALDH1A1MAPTLMNAKMT2ARAB9A
SCHEMBL4010472 0.80 ACHE (0.46) ACHEPOLBMAPTLMNAKMT2A

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
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R ACHE 2784/4885ALDH1A1 4267/4885POLB 4351/4885

“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.