SCHEMBL425988

SCHEMBL425988

CN(C(=O)n1cnc(-c2cccc(OCCN3CCOCC3)c2)c1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CES2 O00748 1/20 0.54
ACHE P22303 1/20 0.47
EPHX2 P34913 4/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
AVPR1B P47901 2/20 0.43
ROCK1 Q13464 2/20 0.42
BACE1 P56817 2/20 0.42
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
ROCK2 O75116 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 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
Hydrochloric Acid SCHEMBL446616 0.99 FAAH (0.53) FAAHCES2ACHEEPHX2KDM4E
SCHEMBL427723 0.91 FAAH (0.52) FAAHCES2ACHEEPHX2KDM4E
SCHEMBL425987 0.91 FAAH (0.53) FAAHCES2EPHX2KDM4EADORA2A
SCHEMBL426063 0.85 FAAH (0.55) FAAHCES2KDM4EAVPR1B
SCHEMBL427530 0.83 FAAH (0.60) FAAHCES2TP53
SCHEMBL424687 0.82 FAAH (0.64) FAAHCES2TP53TSHR
SCHEMBL424186 0.81 FAAH (0.52) FAAHCES2KDM4EAVPR1B
SCHEMBL427155 0.81 FAAH (0.62) FAAHCES2TP53TSHRPDE4D
SCHEMBL526198 0.81 FAAH (0.58) FAAHCES2KDM4ETSHR
Hydrochloric Acid SCHEMBL446668 0.81 FAAH (0.51) FAAHCES2KDM4EAVPR1B

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 62/4885ACHE 167/4885

“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.