SCHEMBL4011944

SCHEMBL4011944

CC1CCN(CCNc2ccc(NC(=O)C=Cc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ACHE P22303 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MCHR1 Q99705 5/20 0.39
RORC P51449 1/20 0.39
CCR2 P41597 1/20 0.39
MCHR2 Q969V1 1/20 0.38
PYGL P06737 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4011939 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL4008079 0.87 MAPT (0.41) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL5115374 0.87 MAPT (0.41) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL14209942 0.85 MAPT (0.40) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL4009965 0.85 DCUN1D1 (0.47) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL4011914 0.85 DCUN1D1 (0.47) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL3866316 0.80 TRPV1 (0.41) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL4006750 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL4011356 0.79 ALDH1A1 (0.45) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL5115620 0.79 ALDH1A1 (0.45) SMN1; SMN2MAPTMEN1KMT2ATP53

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 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
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
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 SMN1; SMN2 2811/4885MAPT 4346/4885MAPK1 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.