SCHEMBL426209

SCHEMBL426209

CCN1CCC(N(C)C(=O)n2cnc(-c3ccc(O)c(F)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
MTOR P42345 2/20 0.38
TDO2 P48775 1/20 0.36
SYK P43405 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
MIF P14174 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ABL1 P00519 1/20 0.34
PIK3CA P42336 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL426223 0.92 FAAH (0.46) FAAHCES2MTORTDO2SYK
SCHEMBL427842 0.88 DRD2 (0.45) FAAHCES2HTR2AKCNH2
SCHEMBL16432674 0.88 FAAH (0.42) FAAHCES2HTR2AKCNH2
SCHEMBL427639 0.88 FAAH (0.58) FAAHCES2GSK3BDYRK1AMIF
SCHEMBL424915 0.88 FAAH (0.44) FAAHCES2MTORHTR2AHRH3
Hydrochloric Acid SCHEMBL16431543 0.87 FAAH (0.42) FAAHCES2HTR2AKCNH2
SCHEMBL427638 0.87 FAAH (0.59) FAAHCES2KCNH2TP53MIF
SCHEMBL427493 0.86 FAAH (0.46) FAAHCES2MTOR
SCHEMBL427883 0.85 FAAH (0.48) FAAHCES2MTORMIFESR1
SCHEMBL428262 0.85 FAAH (0.44) FAAHCES2MTORKCNH2

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 62/4885MTOR 2894/4885

“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.