SCHEMBL10205145

SCHEMBL10205145

CC(C)(C)N1CCC(CC(=O)N2CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.40
▸ TPSD1 Q9BZJ3 1/20 0.40
▸ TPSG1 Q9NRR2 1/20 0.40
▸ HSD11B1 P28845 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL25143802 0.91 NAMPT (0.46) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL20965483 0.86 NAMPT (0.51) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL19001139 0.85 CNR2 (0.49) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL27022569 0.83 NAMPT (0.40) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL27022714 0.81 ITGB3 (0.40) CNR2ALDH1A1
SCHEMBL27022744 0.81 BACE1 (0.39) CNR2NAMPTALDH1A1
SCHEMBL15314570 0.80 NAMPT (0.49) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL27022684 0.79 NAMPT (0.47) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL19012449 0.79 NAMPT (0.42) CNR2NAMPTTPSAB1TPSD1TPSG1
SCHEMBL6259294 0.78 AKR1C3 (0.40) NAMPTATM

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 CNR2 69/4885NAMPT 4209/4885TPSAB1 572/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CNR2 37/4885NAMPT 3554/4885TPSAB1 1168/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R CNR2 41/4885NAMPT 3319/4885TPSAB1 630/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CNR2 37/4885NAMPT 3554/4885TPSAB1 1168/4885

“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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