SCHEMBL5483855

SCHEMBL5483855

COc1cc(CNC2CCCC2C(N)=O)ccc1OCc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
SCN3A Q9NY46 1/20 0.57
KMT2A Q03164 6/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPC6 Q9Y210 1/20 0.44

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
SCHEMBL5488311 0.91 SCN3A (0.46) KCNH2SCN3AKMT2ARAB9AHTT
SCHEMBL5484369 0.88 KMT2A (0.47) KCNH2SCN3AKMT2ARAB9AHTT
SCHEMBL5484837 0.88 SCN3A (0.44) KCNH2SCN3AKMT2AMEN1CYP1A2
SCHEMBL5483694 0.84 SCN3A (0.58) KCNH2SCN3ACYP1A2CYP2C19PARP15
SCHEMBL5489935 0.84 PARP10 (0.56) KCNH2SCN3ACYP1A2CYP2C19PARP15
SCHEMBL5488058 0.83 MCL1 (0.48) KCNH2SCN3AKMT2AHTTGAA
SCHEMBL5481355 0.83 KCNH2 (0.52) KCNH2SCN3ACYP1A2CYP2C19PARP15
SCHEMBL5481350 0.83 KCNH2 (0.52) KCNH2SCN3ACYP1A2CYP2C19PARP15
SCHEMBL5481360 0.83 KCNH2 (0.52) KCNH2SCN3ACYP1A2CYP2C19PARP15
SCHEMBL6064341 0.83 KCNH2 (0.52) KCNH2SCN3ACYP1A2CYP2C19PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265244-B2 Cyclopentyl derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-09-04 US claimed
EP-1687259-B1 CYCLOPENTYL DERIVATES NEWRON PHARM SPA (IT) 2007-08-08 EP claimed
US-20070066688-A1 Cyclopentyl derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-03-22 US claimed
EP-1687259-A1 CYCLOPENTYL DERIVATES Newron Pharmaceuticals S.p.A. (IT) 2006-08-09 EP claimed
WO-2005054178-A1 CYCLOPENTYL DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO claimed
EP-1533295-A1 Cyclopentyl Derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-05-25 EP claimed
US-7265244-B2 Cyclopentyl derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-09-04 US disclosed
EP-1687259-B1 CYCLOPENTYL DERIVATES NEWRON PHARM SPA (IT) 2007-08-08 EP disclosed
US-20070066688-A1 Cyclopentyl derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-03-22 US disclosed
EP-1687259-A1 CYCLOPENTYL DERIVATES Newron Pharmaceuticals S.p.A. (IT) 2006-08-09 EP disclosed
WO-2005054178-A1 CYCLOPENTYL DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO disclosed
EP-1533295-A1 Cyclopentyl Derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-05-25 EP 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-20070066688-A1 Cyclopentyl derivatives HCN3, RYR2, KCNN3 KCNH2 87/4885SCN3A 21/4885KMT2A 4750/4885

“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.