SCHEMBL4714100

SCHEMBL4714100

CCN1CCC(N(C)c2ccc(-c3ccc(Cl)s3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.40
▸ NOS1 P29475 4/20 0.40
▸ NOS2 P35228 4/20 0.40
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL4846030 0.79 MCHR1 (0.42) KMT2AKCNH2
SCHEMBL4714099 0.71 F2 (0.42) F2F10KMT2AALDH1A1
SCHEMBL4716957 0.67 ACHE (0.47) KMT2AHRH3
SCHEMBL14079174 0.65 GFER (0.47) NOS3NOS1NOS2NMT1HRH3
SCHEMBL1284095 0.65 NOS3 (0.42) NOS3NOS1NOS2NMT1KMT2A
SCHEMBL4712426 0.64 NOS3 (0.44) NOS3NOS1NOS2KMT2AHRH3
SCHEMBL684682 0.62 SMN1; SMN2 (0.43) NOS3NOS1NOS2HRH3
SCHEMBL9193008 0.61 CYP2A6 (0.50) F2KMT2AMAPTALDH1A1RAB9A
SCHEMBL13804216 0.61 SMN1; SMN2 (0.42) NOS3NOS1NOS2KMT2AHRH3
SCHEMBL13860753 0.60 SMN1; SMN2 (0.38) NOS3NOS1NOS2KMT2AHRH3

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 4 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
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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — 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 (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 NOS3 2459/4885NOS1 2211/4885NOS2 2154/4885

“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.

Send feedback