SCHEMBL427009

SCHEMBL427009

O=C(N1CCN(C2CCCCC2)CC1)n1cnc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
KDM4E B2RXH2 4/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ACKR3 P25106 3/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
MTOR P42345 1/20 0.37
BDKRB1 P46663 1/20 0.37

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
SCHEMBL427035 0.75 DPP4 (0.42) KCNH2
SCHEMBL427101 0.73 FAAH (0.61) POLB
SCHEMBL30716660 0.73 CNR1 (0.44) KCNH2MTOR
SCHEMBL21408482 0.73 CNR1 (0.44) KCNH2MTOR
SCHEMBL425994 0.72 FAAH (0.47) L3MBTL1
SCHEMBL427919 0.69 KMO (0.36)
SCHEMBL427146 0.68 ALOX5AP (0.39) MTOR
SCHEMBL424563 0.68 NPC1 (0.48) ALDH1A1
SCHEMBL3763107 0.68 HRH3 (0.43) HRH3ALDH1A1
SCHEMBL3399902 0.67 THRA (0.49) HRH3HTTALDH1A1MTOR

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 HRH3 95/4885KCNH2 1739/4885HTT 900/4885

“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.