SCHEMBL428175

SCHEMBL428175

COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
CES2 O00748 1/20 0.55
HSP90AA1 P07900 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
SYK P43405 1/20 0.41
PDE7A Q13946 1/20 0.40
TSHR P16473 1/20 0.39
KCNH2 Q12809 3/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL424561 0.91 FAAH (0.59) FAAHCES2POLBGAAPDE4A
SCHEMBL427888 0.91 FAAH (0.54) FAAHCES2HSP90AA1POLBGAA
SCHEMBL427870 0.90 FAAH (0.58) FAAHCES2POLBGAAPDE4A
SCHEMBL424691 0.88 FAAH (0.56) FAAHCES2HSP90AA1POLBGAA
SCHEMBL424910 0.87 FAAH (0.57) FAAHCES2HSP90AA1PDE4DPDE7A
SCHEMBL425833 0.86 FAAH (0.56) FAAHCES2POLBGAAKCNH2
SCHEMBL427920 0.85 FAAH (0.55) FAAHCES2POLBGAAPDE4A
SCHEMBL464472 0.84 FAAH (0.55) FAAHCES2POLBGAATSHR
SCHEMBL428043 0.84 FAAH (0.51) FAAHCES2HSP90AA1POLBGAA
SCHEMBL425843 0.84 FAAH (0.59) FAAHCES2POLBGAAKCNH2

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 62/4885HSP90AA1 1590/4885

“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.