SCHEMBL12440407

SCHEMBL12440407

NC(=O)C1CCN(CCOc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.75
LTA4H P09960 4/20 0.55
CHRM1 P11229 3/20 0.53
HTR2A P28223 3/20 0.53
HRH3 Q9Y5N1 2/20 0.51
CYP2D6 P10635 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28619862 0.87 LTA4H (0.70) MCHR1LTA4HHRH3SIGMAR1ALDH1A1
SCHEMBL4528896 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL12440195 0.84 MCHR1 (0.59) MCHR1LTA4HCHRM1HTR2AHRH3
SCHEMBL12441099 0.84 MCHR1 (0.72) MCHR1CHRM1HTR2AHRH3CYP2D6
SCHEMBL12441547 0.83 MCHR1 (0.57) MCHR1LTA4HCHRM1HTR2AHRH3
SCHEMBL12440372 0.82 MCHR1 (0.74) MCHR1LTA4HCHRM1HTR2AHRH3
SCHEMBL12440251 0.82 MCHR1 (0.78) MCHR1LTA4HCHRM1HTR2AHRH3
SCHEMBL14039753 0.82 MCHR1 (0.78) MCHR1LTA4HCHRM1HTR2AHRH3
SCHEMBL12440214 0.82 MCHR1 (0.59) MCHR1CHRM1HTR2AHRH3CYP2D6
SCHEMBL12440472 0.81 MCHR1 (0.77) MCHR1LTA4HCHRM1HTR2AHRH3

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-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885LTA4H 2076/4885CHRM1 85/4885

“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.