SCHEMBL4716228

SCHEMBL4716228

CCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.43
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ S1PR4 O95977 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
SCHEMBL3456757 0.79 MCHR1 (0.48) MCHR1USP2HTTLMNAMEN1
SCHEMBL4714093 0.79 HRH4 (0.40) MCHR1USP2HTTLMNAMEN1
SCHEMBL4716230 0.73 MCHR1 (0.35) MCHR1LMNAHDAC2HDAC8HDAC4
SCHEMBL6312390 0.72 MCHR1 (0.43) MCHR1USP2HTTLMNAMEN1
SCHEMBL3540614 0.72 MCHR1 (0.46) MCHR1USP2HTTLMNAMEN1
SCHEMBL10893204 0.72 MCHR1 (0.58) MCHR1HTTLMNAMEN1KMT2A
SCHEMBL3455748 0.71 HRH4 (0.50) MCHR1LMNAHDAC2HDAC8HDAC4
SCHEMBL4416279 0.71 PPARA (0.45) MCHR1LMNAMEN1KMT2ANPSR1
SCHEMBL4715354 0.70 USP2 (0.44) USP2HTTLMNAMEN1KMT2A
SCHEMBL11939552 0.70 MAOB (0.44) MCHR1LMNAMEN1KMT2ANPSR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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 (1 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B MCHR1 4485/4885USP2 3518/4885HTT 4262/4885

“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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