SCHEMBL3859115

SCHEMBL3859115

CC1CCN(CCc2ccc(NC(=O)C#Cc3ccc(-c4ccccc4)cc3Br)cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
HTR1A P08908 2/20 0.38
SLC6A4 P31645 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3857726 0.91 MCHR1 (0.43)
SCHEMBL3866481 0.86 TRPV1 (0.36) HTR1ASLC6A4
SCHEMBL3859191 0.80 TRPV1 (0.44) KDM4EGAAL3MBTL1MAPK1ALDH1A1
SCHEMBL13683468 0.79 MCHR1 (0.40) KDM4ENPC1GAAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL3858490 0.79 MCHR1 (0.39) KDM4ENPC1GAAL3MBTL1ALDH1A1
SCHEMBL13683780 0.73 ALDH1A1 (0.45) KDM4ETP53GAAMAPK1ALDH1A1
SCHEMBL4592113 0.73 KDM4E (0.44) KDM4ENPC1RAB9AHRH3TP53
SCHEMBL3857271 0.71 DCUN1D1 (0.47) ALDH1A1SMN1; SMN2KMT2AUBE2MDCUN1D1
SCHEMBL4279585 0.70 KDM1A (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL3866316 0.67 TRPV1 (0.41) KDM4EGAAL3MBTL1MAPK1ALDH1A1

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-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US 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

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 KDM4E 1277/4885NPC1 1101/4885RAB9A 3150/4885

“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.