SCHEMBL424654

SCHEMBL424654

CCN(C(=O)n1cnc(-c2ccc(OC)c(OC)c2)c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
FAAH O00519 1/20 0.46
CES2 O00748 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
KCNH2 Q12809 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL427646 0.88 FAAH (0.48) TSHRFAAHCES2RAB9AS1PR1
SCHEMBL424561 0.87 FAAH (0.59) TSHRFAAHCES2PSEN1PSEN2
SCHEMBL427870 0.86 FAAH (0.58) TSHRFAAHCES2PSEN1PSEN2
SCHEMBL425912 0.84 FAAH (0.49) TSHRFAAHCES2HTTNPSR1
SCHEMBL427562 0.83 FAAH (0.56) FAAHCES2MEN1KMT2ARAB9A
SCHEMBL425897 0.83 FAAH (0.47) TSHRFAAHCES2NPSR1MEN1
SCHEMBL425994 0.83 FAAH (0.47) TSHRFAAHCES2MEN1KMT2A
SCHEMBL427958 0.80 SMN1; SMN2 (0.52) TSHRFAAHCES2NPSR1MEN1
SCHEMBL427891 0.79 FAAH (0.46) FAAHCES2HTTMEN1KMT2A
SCHEMBL428175 0.79 FAAH (0.55) TSHRFAAHCES2PSEN1PSEN2

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 TSHR 2673/4885FAAH 1/4885CES2 62/4885

“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.