SCHEMBL425372

SCHEMBL425372

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.67
CES2 O00748 1/20 0.67
USP19 O94966 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPA1 O75762 1/20 0.41
MGLL Q99685 1/20 0.41
MLLT3 P42568 2/20 0.40
MLLT1 Q03111 2/20 0.40
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
TRPV3 Q8NET8 1/20 0.37
FYN P06241 2/20 0.37
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL427830 0.99 FAAH (0.66) FAAHCES2USP19NPC1RAB9A
SCHEMBL427817 0.98 FAAH (0.65) FAAHCES2USP19NPC1RAB9A
SCHEMBL424383 0.89 FAAH (0.74) FAAHCES2USP19NPC1RAB9A
SCHEMBL16433307 0.89 FAAH (0.54) FAAHCES2MLLT3MLLT1HSD17B1
SCHEMBL424585 0.89 FAAH (0.67) FAAHCES2USP19NPC1RAB9A
SCHEMBL526192 0.89 FAAH (0.67) FAAHCES2USP19NPC1RAB9A
SCHEMBL425914 0.88 FAAH (0.66) FAAHCES2USP19NPC1RAB9A
Bromide SCHEMBL17819169 0.88 FAAH (0.53) FAAHCES2MLLT3MLLT1HSD17B1
SCHEMBL524996 0.88 FAAH (0.66) FAAHCES2USP19NPC1RAB9A
SCHEMBL427164 0.88 FAAH (0.66) FAAHCES2USP19NPC1RAB9A

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 8 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 62/4885USP19 744/4885

“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.