SCHEMBL1365290

SCHEMBL1365290

CN(Cc1ccccc1)c1cc[n+]([O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
CHKA P35790 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AOC3 Q16853 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
PDE4A P27815 1/20 0.40
G6PC1 P35575 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL11881187 0.82 NR1H2 (0.62) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL642317 0.82 CRHBP (0.61) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL14561873 0.80 CHKA (0.71) NR1H2NR1H3ALDH1A1CHKALMNA
Hydrochloric Acid SCHEMBL27388371 0.80 CRHBP (0.59) CRHBPCRHR2NR1H2NR1H3ALDH1A1
Nitrogen SCHEMBL4600396 0.78 CRHBP (0.58) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL10054994 0.78 CRHBP (0.67) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL25840187 0.77 TP53 (0.56) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL156840 0.75 CRHBP (0.59) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL4403042 0.75 NR1H2 (0.56) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL8228982 0.75 CYP2C19 (0.68) CRHBPCRHR2NR1H2NR1H3ALDH1A1

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-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
EP-2069327-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-06-17 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
WO-2008022979-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO 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 CRHBP 944/4885CRHR2 33/4885NR1H2 1613/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CRHBP 944/4885CRHR2 33/4885NR1H2 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.