SCHEMBL427456

SCHEMBL427456

O=C(N1CCN(C2CCCCC2)CC1)n1cnc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.51
HRH3 Q9Y5N1 10/20 0.50
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LIPE Q05469 1/20 0.42

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
SCHEMBL425576 0.78 LIPE (0.56) LMNAHTTKDM4EALDH1A1L3MBTL1
SCHEMBL425860 0.74 ALDH1A1 (0.46) ALDH1A1BCHEACHELIPE
SCHEMBL425673 0.74 POLB (0.51) LMNAHTTKDM4EALDH1A1POLB
SCHEMBL462380 0.73 MAP4K4 (0.38) POLBBCHEACHELIPE
SCHEMBL427075 0.73 BRD4 (0.38) POLBBCHEACHELIPE
SCHEMBL425835 0.71 AKR1C3 (0.54) HRH3LMNAHTTALDH1A1MEN1
SCHEMBL462379 0.68 CHIT1 (0.39) SCN5ASCN2ASCN10AALDH1A1KCNH2
SCHEMBL4379142 0.68 HRH3 (0.97) HRH3ALDH1A1KMT2APOLB
SCHEMBL4377249 0.68 HRH3 (0.97) HRH3ALDH1A1KMT2APOLB
SCHEMBL4382907 0.68 HRH3 (0.97) HRH3ALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 SCN5A 1079/4885SCN2A 1909/4885SCN10A 1421/4885

“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.