SCHEMBL1365222

SCHEMBL1365222

COCNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.62
▸ NR1H2 P55055 1/20 0.55
▸ HDAC6 Q9UBN7 5/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ PRMT5 O14744 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ WDR77 Q9BQA1 3/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 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
SCHEMBL5077823 0.96 NR1H2 (0.61) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL6165588 0.89 ESR2 (0.65) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL31553363 0.89 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL31553409 0.89 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL14063092 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL30301758 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL3024823 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL31553384 0.84 NR1H2 (0.70) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL1365392 0.83 ESR2 (0.66) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL19692691 0.82 HTT (0.49) HDAC6SMN1; SMN2LMNAHDAC1HTT

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 ESR2 1432/4885NR1H2 1613/4885HDAC6 3833/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ESR2 1432/4885NR1H2 1613/4885HDAC6 3833/4885

“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.

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