SCHEMBL4006750

SCHEMBL4006750

CC1CCN(CCNc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ACHE P22303 2/20 0.48
MAPK1 P28482 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RORC P51449 1/20 0.42
MCHR1 Q99705 1/20 0.42
KCNT1 Q5JUK3 1/20 0.42
KCNT2 Q6UVM3 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
GAA P10253 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
SCHEMBL4008953 0.87 SMN1; SMN2 (0.45) SMN1; SMN2ACHEMAPK1DUSP3PTPN5
SCHEMBL4017743 0.85 ACHE (0.48) SMN1; SMN2ACHEMAPK1DUSP3PTPN5
SCHEMBL4006855 0.81 HTR2A (0.47) SMN1; SMN2ACHEMAPTLMNATSHR
SCHEMBL4008233 0.81 MRGPRX4 (0.51) SMN1; SMN2ACHEMAPTLMNATSHR
SCHEMBL4011939 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ACHEMAPK1DUSP3PTPN5
SCHEMBL4011944 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ACHEMAPK1DUSP3PTPN5
SCHEMBL3866316 0.80 TRPV1 (0.41) SMN1; SMN2ACHEMAPK1DUSP3PTPN5
SCHEMBL4010360 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ACHEMAPTLMNATSHR
SCHEMBL4006633 0.79 RORC (0.47) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL4006678 0.79 ACHE (0.55) SMN1; SMN2ACHEMAPTALDH1A1LMNA

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 13 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 claimed
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 claimed
JP-2006504761-A 2006-02-09 JP claimed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
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 claimed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO claimed
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
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP 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
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R SMN1; SMN2 2811/4885ACHE 2784/4885MAPK1 3199/4885

“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.