SCHEMBL5489935

SCHEMBL5489935

COc1cc(OCc2ccccc2F)ccc1CNC1CCCC1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
PARP15 Q460N3 1/20 0.56
KCNH2 Q12809 8/20 0.48
SCN3A Q9NY46 11/20 0.48
SCN1A P35498 1/20 0.46
SCN4A P35499 1/20 0.46
SCN7A Q01118 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
PARP14 Q460N5 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2B6 P20813 1/20 0.46
MAOB P27338 1/20 0.46
CYP2C19 P33261 1/20 0.46
CD274 Q9NZQ7 2/20 0.43

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
SCHEMBL5488058 0.85 MCL1 (0.48) KCNH2SCN3ASCN1ASCN4ASCN7A
Carbamic Acid SCHEMBL5493879 0.84 PARP10 (0.59) PARP10PARP15KCNH2SCN3ASCN9A
SCHEMBL5483694 0.84 SCN3A (0.58) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL5483855 0.84 KCNH2 (0.57) PARP10PARP15KCNH2SCN3ACYP1A2
SCHEMBL5481350 0.83 KCNH2 (0.52) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL5481355 0.83 KCNH2 (0.52) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL5481360 0.83 KCNH2 (0.52) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL6064341 0.83 KCNH2 (0.52) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL5484364 0.81 KCNH2 (0.45) PARP10PARP15KCNH2SCN3ASCN1A
SCHEMBL5488311 0.79 SCN3A (0.46) KCNH2SCN3ASCN1ASCN4ASCN7A

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 PARP10 2377/4885PARP15 2883/4885KCNH2 87/4885

“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.