SCHEMBL424550

SCHEMBL424550

CN(C(=O)n1cnc(-c2cccc(OCCN3CCNCC3)c2)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LTA4H P09960 2/20 0.44
BACE1 P56817 2/20 0.43
ROCK1 Q13464 1/20 0.43
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.41
AVPR1B P47901 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
EPHX2 P34913 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL427759 0.92 LTA4H (0.47) KDM4EALDH1A1LTA4HFAAH
SCHEMBL425987 0.83 FAAH (0.53) KDM4EALDH1A1LTA4HBACE1ROCK1
SCHEMBL424569 0.82 LTA4H (0.51) KDM4ELTA4HAVPR1BHRH3
SCHEMBL424571 0.81 NPC1 (0.55) KDM4EALDH1A1LTA4HGAAHRH3
SCHEMBL425409 0.80 HSD17B2 (0.50) KDM4EALDH1A1FAAHGAA
SCHEMBL425371 0.77 FAAH (0.60) KDM4EFAAHGAA
SCHEMBL426082 0.76 KDM4E (0.45) KDM4EALDH1A1LTA4HBACE1ROCK1
SCHEMBL427476 0.74 FAAH (0.57) KDM4EFAAHGAA
SCHEMBL425420 0.74 FAAH (0.52) KDM4EFAAH
SCHEMBL424186 0.74 FAAH (0.52) KDM4EALDH1A1LTA4HFAAHAVPR1B

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 KDM4E 1982/4885ALDH1A1 294/4885LTA4H 7/4885

“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.