SCHEMBL10205756

SCHEMBL10205756

CC(=O)NC1CCN(Cc2ccc(CCn3ccc(N4Cc5ccccc5C4)cc3=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
MCHR1 Q99705 4/20 0.43
CYP2D6 P10635 2/20 0.43
HTR2A P28223 2/20 0.43
CHRM1 P11229 1/20 0.43
KCNH2 Q12809 2/20 0.42
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 9/20 0.41
NAMPT P43490 1/20 0.41
DRD4 P21917 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
SCHEMBL10205757 0.83 MCHR1 (0.53) MCHR1SIGMAR1
SCHEMBL1367578 0.81 CCR8 (0.56) LTA4HMCHR1HTR2AKCNH2SIGMAR1
SCHEMBL1365680 0.80 MCHR1 (0.46) LTA4HMCHR1CYP2D6SIGMAR1
SCHEMBL1366390 0.76 SIGMAR1 (0.52) LTA4HMCHR1HTR2AKCNH2SIGMAR1
SCHEMBL1366582 0.76 MCHR1 (0.54) LTA4HMCHR1CYP2D6HTR2ACHRM1
SCHEMBL1364952 0.76 MCHR1 (0.70) MCHR1CYP2D6HTR2ACHRM1KCNH2
SCHEMBL1366273 0.75 MCHR1 (0.53) LTA4HMCHR1KCNH2SIGMAR1
SCHEMBL1367576 0.75 MCHR1 (0.57) MCHR1KCNH2SIGMAR1
SCHEMBL12162631 0.75 MCHR1 (0.46) LTA4HMCHR1CYP2D6HTR2ACHRM1
SCHEMBL1367624 0.75 MCHR1 (0.59) MCHR1CYP2D6HTR2ACHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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 (2 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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 LTA4H 1170/4885MCHR1 1/4885CYP2D6 1015/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 LTA4H 1170/4885MCHR1 1/4885CYP2D6 1015/4885

“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.