SCHEMBL4592113

SCHEMBL4592113

CC1CCN(CCc2ccc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)cc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 2/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.40
TERT O14746 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL4591983 0.79 MCHR1 (0.49) KMT2AALDH1A1HTTTP53MEN1
SCHEMBL3859115 0.73 KDM4E (0.40) KDM4EKMT2AALDH1A1TP53HRH3
SCHEMBL4008953 0.73 SMN1; SMN2 (0.45) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4270005 0.69 MCHR1 (0.53) KDM4EKMT2AALDH1A1HRH3MEN1
SCHEMBL21084026 0.66 MAPT (0.67) KDM4EKMT2AALDH1A1HTTMEN1
SCHEMBL13683780 0.66 ALDH1A1 (0.45) KDM4EALDH1A1TP53SMN1; SMN2MCHR1
SCHEMBL3708100 0.66 PKM (0.62) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL4279585 0.64 KDM1A (0.44) KMT2AMEN1NPC1RAB9AMCHR1
SCHEMBL4017743 0.64 ACHE (0.48) KMT2AALDH1A1TP53MEN1SMN1; SMN2
SCHEMBL4272900 0.63 KCNA3 (0.49) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KDM4E 1313/4885KMT2A 474/4885ALDH1A1 3960/4885

“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.