SCHEMBL425833

SCHEMBL425833

COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CES2 O00748 1/20 0.56
GAA P10253 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
KCNH2 Q12809 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 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
SCHEMBL427920 0.99 FAAH (0.55) FAAHCES2GAAPSEN1PSEN2
SCHEMBL425843 0.92 FAAH (0.59) FAAHCES2GAAPSEN1PSEN2
SCHEMBL425932 0.91 FAAH (0.57) FAAHCES2GAAPSEN1PSEN2
SCHEMBL424561 0.91 FAAH (0.59) FAAHCES2GAAPSEN1PSEN2
SCHEMBL427345 0.90 FAAH (0.46) FAAHCES2GAAALDH1A1SMN1; SMN2
SCHEMBL464456 0.90 FAAH (0.46) FAAHCES2GAAKCNH2ALDH1A1
SCHEMBL427870 0.89 FAAH (0.58) FAAHCES2GAAPSEN1PSEN2
Hydrochloric Acid SCHEMBL446050 0.89 FAAH (0.45) FAAHCES2GAAKCNH2ALDH1A1
SCHEMBL427101 0.88 FAAH (0.61) FAAHCES2POLBKMT2AMEN1
SCHEMBL424691 0.88 FAAH (0.56) FAAHCES2GAAPSEN1PSEN2

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 62/4885GAA 184/4885

“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.