SCHEMBL425987

SCHEMBL425987

CN(C(=O)n1cnc(-c2cccc(OCCN3CCNCC3)c2)c1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
CES2 O00748 1/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AVPR1B P47901 2/20 0.43
EPHX2 P34913 1/20 0.42
ROCK1 Q13464 1/20 0.42
BACE1 P56817 2/20 0.41
SYK P43405 2/20 0.41
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
JAK2 O60674 1/20 0.39
OPRK1 P41145 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL424186 0.91 FAAH (0.52) FAAHCES2KDM4EALDH1A1AVPR1B
SCHEMBL425988 0.91 FAAH (0.54) FAAHCES2KDM4EAVPR1BEPHX2
Hydrochloric Acid SCHEMBL446668 0.91 FAAH (0.51) FAAHCES2KDM4EALDH1A1AVPR1B
Hydrochloric Acid SCHEMBL446616 0.90 FAAH (0.53) FAAHCES2KDM4EAVPR1BEPHX2
SCHEMBL426063 0.84 FAAH (0.55) FAAHCES2KDM4EAVPR1BSYK
SCHEMBL424550 0.83 KDM4E (0.50) FAAHKDM4EALDH1A1AVPR1BEPHX2
SCHEMBL427530 0.82 FAAH (0.60) FAAHCES2ALDH1A1
SCHEMBL424687 0.82 FAAH (0.64) FAAHCES2ALDH1A1OPRK1
SCHEMBL427723 0.81 FAAH (0.52) FAAHCES2KDM4EALDH1A1EPHX2
SCHEMBL427155 0.81 FAAH (0.62) FAAHCES2ALDH1A1OPRK1

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 62/4885KDM4E 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.