SCHEMBL5481360

SCHEMBL5481360

NC(=O)[C@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.52
SCN3A Q9NY46 11/20 0.49
SCN9A Q15858 2/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
MAOB P27338 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 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
SCHEMBL5481350 1.00 KCNH2 (0.52) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL6064341 1.00 KCNH2 (0.52) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5481355 1.00 KCNH2 (0.52) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5490109 0.91 KDM1A (0.47) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5483694 0.89 SCN3A (0.58) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5493109 0.88 KDM1A (0.57) KCNH2KDM1ASPHK2SPHK1
SCHEMBL5488311 0.86 SCN3A (0.46) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5484369 0.84 KMT2A (0.47) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5484837 0.84 SCN3A (0.44) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL5484364 0.84 KCNH2 (0.45) KCNH2SCN3ASCN9ASCN1ASCN4A

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 3 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 disclosed
US-20070066688-A1 Cyclopentyl derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-03-22 US 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 21/4885SCN9A 465/4885

“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.