SCHEMBL426017

SCHEMBL426017

CC1(C)COCN1C(=O)n1cnc(-c2ccc(OCCN3CCOCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
SYK P43405 2/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 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
SCHEMBL424719 0.94 KDM4E (0.44) KDM4EALDH1A1HRH3
SCHEMBL427193 0.92 KDM4E (0.43) GAASMN1; SMN2KDM4EALDH1A1ACHE
SCHEMBL426083 0.90 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AACHE
SCHEMBL428071 0.85 BACE1 (0.47) GAASMN1; SMN2KDM4EALDH1A1ACHE
SCHEMBL427620 0.83 KDM4E (0.38) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL426082 0.83 KDM4E (0.45) KDM4EALDH1A1ACHEHRH3SYK
SCHEMBL425975 0.80 ITGB3 (0.49)
SCHEMBL427535 0.80 CNR2 (0.35) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL427118 0.79 DPP4 (0.40) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL425743 0.79 FAAH (0.43) GAASMN1; SMN2KDM4EALDH1A1RAB9A

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 4 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

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 GAA 184/4885SMN1; SMN2 2818/4885KDM4E 1982/4885

“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.