SCHEMBL425980

SCHEMBL425980

CN(C(=O)n1cnc(-c2ccc(OCC3CCNCC3)cc2)c1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CES2 O00748 1/20 0.54
CHEK2 O96017 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
KDM1A O60341 5/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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 0.84 FAAH (0.52) FAAHCES2TDP1
Hydrochloric Acid SCHEMBL446668 0.83 FAAH (0.51) FAAHCES2TDP1
SCHEMBL16439280 0.83 FAAH (0.47) FAAHCES2ITGB3ITGA2BCYP2D6
SCHEMBL425329 0.83 FAAH (0.50) FAAHCES2TDP1KDM1ASLC6A2
SCHEMBL425992 0.82 FAAH (0.62) FAAHCES2MCHR1
Hydrochloric Acid SCHEMBL445567 0.82 FAAH (0.49) FAAHCES2TDP1KDM1ASLC6A2
SCHEMBL446612 0.81 FAAH (0.61) FAAHCES2KDM1AMCHR1
SCHEMBL425965 0.81 FAAH (0.61) FAAHCES2MCHR1
SCHEMBL525315 0.80 FAAH (0.58) FAAHCES2HRH3
Hydrochloric Acid SCHEMBL16432955 0.80 FAAH (0.46) FAAHCES2

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 62/4885CHEK2 4825/4885

“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.