SCHEMBL10205154

SCHEMBL10205154

CNC(=O)NC1CCN(C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.45
EPHX1 P07099 8/20 0.43
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL10205072 0.81 EPHX2 (0.44) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL853181 0.81 ALDH1A1 (0.42) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL12312660 0.81 EPHX1 (0.44) EPHX2EPHX1ALDH1A1RAB9AKDM4E
SCHEMBL27938687 0.79 ALDH1A1 (0.41) EPHX2EPHX1ALDH1A1SIGMAR1
SCHEMBL14263081 0.79 ALDH1A1 (0.62) EPHX2EPHX1ALDH1A1SIGMAR1
SCHEMBL10271099 0.79 EPHX2 (0.46) EPHX2EPHX1ALDH1A1NPC1RAB9A
SCHEMBL16904635 0.78 ALDH1A1 (0.33) EPHX2EPHX1ALDH1A1SIGMAR1
SCHEMBL26140448 0.78 L3MBTL1 (0.47) EPHX2ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL16418439 0.78 CTSK (0.42) EPHX2EPHX1ALDH1A1SIGMAR1
SCHEMBL10205067 0.78 POLB (0.48) EPHX2ALDH1A1RAB9ACYP3A4

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
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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (4 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 EPHX2 1171/4885EPHX1 2641/4885ALDH1A1 3960/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 EPHX2 2217/4885EPHX1 3179/4885ALDH1A1 3225/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R EPHX2 1234/4885EPHX1 2709/4885ALDH1A1 3642/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 EPHX2 2217/4885EPHX1 3179/4885ALDH1A1 3225/4885

“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.