SCHEMBL1365639

SCHEMBL1365639

CC(C)(C)OC(=O)N1CCc2ccc(CCn3ncc(OCc4ccccc4)cc3=O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.49
SIGMAR1 Q99720 7/20 0.49
NR1H2 P55055 1/20 0.46
ESR2 Q92731 1/20 0.45
MCHR1 Q99705 7/20 0.45
P2RX3 P56373 2/20 0.43
HRH2 P25021 2/20 0.43
HTR2C P28335 2/20 0.43
HTR1E P28566 2/20 0.43
HRH1 P35367 2/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL4054734 0.94 MCHR1 (0.47) TMEM97SIGMAR1ESR2MCHR1HRH2
SCHEMBL1367201 0.87 MCHR1 (0.50) NR1H2ESR2MCHR1
SCHEMBL1367079 0.87 MCHR1 (0.48) NR1H2ESR2MCHR1
SCHEMBL4045006 0.87 MCHR1 (0.48) NR1H2ESR2MCHR1P2RX3
SCHEMBL1365799 0.86 HRH3 (0.53) TMEM97SIGMAR1MCHR1HRH3
SCHEMBL1367875 0.86 MCHR1 (0.52) TMEM97SIGMAR1NR1H2ESR2MCHR1
SCHEMBL13748840 0.84 MCHR1 (0.49) TMEM97SIGMAR1MCHR1HRH2HTR2C
SCHEMBL4212822 0.83 MCHR1 (0.50) ESR2MCHR1
SCHEMBL4221156 0.83 MCHR1 (0.48) NR1H2ESR2MCHR1
SCHEMBL1365643 0.83 MCHR1 (0.52) TMEM97SIGMAR1NR1H2ESR2MCHR1

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-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-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
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP 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 TMEM97 982/4885SIGMAR1 115/4885NR1H2 1613/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 TMEM97 982/4885SIGMAR1 115/4885NR1H2 1613/4885

“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.