SCHEMBL3863589

SCHEMBL3863589

CCN(CC)CCOc1ccc(NC(=O)C#Cc2cccnc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 1/20 0.42
MCHR1 Q99705 3/20 0.42
NAMPT P43490 2/20 0.42
RORC P51449 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 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
SCHEMBL13683469 0.85 HRH3 (0.51) KDRMEN1KMT2AHRH3ABL1
SCHEMBL3858810 0.84 KDR (0.57) KDRHRH3MCHR1KDM4E
SCHEMBL13683431 0.84 KDR (0.52) KDRHTR2AHTR2CHRH3MCHR1
Hydrochloric Acid SCHEMBL3866249 0.83 KDR (0.51) KDRHTR2AHTR2CHRH3MCHR1
SCHEMBL13683416 0.83 KDR (0.53) KDRHTR2AHTR2CHRH3MCHR1
SCHEMBL13683432 0.82 KDR (0.53) KDRMEN1KMT2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL3865553 0.81 KDR (0.52) KDRMEN1KMT2AHTR2AHTR2C
SCHEMBL3859369 0.80 HRH3 (0.52) KDRMEN1KMT2AHTR2AHTR2C
SCHEMBL3865011 0.79 KDR (0.50) KDRHTR2AHTR2CHRH3MCHR1
SCHEMBL13683417 0.78 KDR (0.56) KDRHRH3MCHR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 4837/4885MEN1 807/4885KMT2A 678/4885

“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.