SCHEMBL4006682

SCHEMBL4006682

CCN(CC)CCOc1ccc(NC(=O)COc2ccc(-c3ccccc3Cl)cc2Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
MCHR1 Q99705 4/20 0.50
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL4011480 0.90 KDR (0.62) KDRMCHR1NPC1RAB9ANFKB1
SCHEMBL4016753 0.87 KDR (0.58) KDRMCHR1RAB9AMEN1KMT2A
SCHEMBL4005248 0.85 KDR (0.58) KDRMCHR1NPC1RAB9AKDM4E
SCHEMBL4015053 0.85 KDR (0.56) KDRMCHR1NPC1RAB9ANFKB1
SCHEMBL4005687 0.84 KDR (0.53) KDRMCHR1NPC1RAB9ANFKB1
SCHEMBL4009671 0.84 KDR (0.53) KDRMCHR1NPC1RAB9ANFKB1
SCHEMBL4009062 0.83 KDR (0.56) KDRMCHR1NPC1RAB9AMEN1
SCHEMBL4008188 0.83 BRD4 (0.61) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL4010377 0.83 KDR (0.55) KDRMCHR1NPC1RAB9ANFKB1
SCHEMBL4006757 0.82 KDR (0.54) KDRMCHR1NPC1RAB9ANFKB1

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 KDR 4188/4885MCHR1 2/4885NPC1 1393/4885

“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.