SCHEMBL427870

SCHEMBL427870

COc1ccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
CES2 O00748 1/20 0.58
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
KCNH2 Q12809 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
AAK1 Q2M2I8 2/20 0.42
STK17B O94768 3/20 0.42
TSHR P16473 2/20 0.42
NEK2 P51955 1/20 0.40
ATM Q13315 1/20 0.40

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 0.99 FAAH (0.59) FAAHCES2POLBGAAPDE4A
SCHEMBL425932 0.90 FAAH (0.57) FAAHCES2POLBGAAPSEN1
SCHEMBL427920 0.90 FAAH (0.55) FAAHCES2POLBGAAPDE4A
SCHEMBL428163 0.90 FAAH (0.48) FAAHCES2POLBGAAPDE4A
SCHEMBL428175 0.90 FAAH (0.55) FAAHCES2POLBGAAPDE4A
SCHEMBL425833 0.89 FAAH (0.56) FAAHCES2POLBGAAPSEN1
SCHEMBL424691 0.89 FAAH (0.56) FAAHCES2POLBGAAPDE4A
SCHEMBL425843 0.89 FAAH (0.59) FAAHCES2POLBGAAPSEN1
SCHEMBL427891 0.88 FAAH (0.46) FAAHCES2POLBGAANEK2
SCHEMBL464472 0.88 FAAH (0.55) FAAHCES2POLBGAAPSEN1

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 62/4885POLB 2792/4885

“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.