SCHEMBL427723

SCHEMBL427723

CN(C(=O)n1cnc(-c2ccc(OCCN3CCOCC3)cc2)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CES2 O00748 1/20 0.52
SYK P43405 2/20 0.47
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
EPHX2 P34913 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
SCHEMBL426063 0.93 FAAH (0.55) FAAHCES2SYKBMPR1BBMPR1A
SCHEMBL425988 0.91 FAAH (0.54) FAAHCES2KDM4EACHEEPHX2
Hydrochloric Acid SCHEMBL446616 0.90 FAAH (0.53) FAAHCES2KDM4ENPC1RAB9A
SCHEMBL424186 0.90 FAAH (0.52) FAAHCES2SYKKDM4EALDH1A1
Hydrochloric Acid SCHEMBL446668 0.89 FAAH (0.51) FAAHCES2SYKKDM4EALDH1A1
SCHEMBL425150 0.85 FAAH (0.47) FAAHCES2GAAKDM4EALDH1A1
SCHEMBL425987 0.81 FAAH (0.53) FAAHCES2SYKHRH3KDM4E
SCHEMBL424571 0.81 NPC1 (0.55) SYKACVR1GAASMN1; SMN2HRH3
SCHEMBL7901177 0.81 FAAH (0.54) FAAHCES2HRH3BCHE
SCHEMBL425992 0.81 FAAH (0.62) FAAHCES2SMN1; SMN2NPC1RAB9A

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 FAAH 1/4885CES2 62/4885SYK 4393/4885

“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.