SCHEMBL427830

SCHEMBL427830

CN(C(=O)n1cnc(-c2cccc(O)c2)c1)C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.66
▸ CES2 O00748 1/20 0.66
▸ USP19 O94966 1/20 0.42
▸ MLLT3 P42568 2/20 0.41
▸ MLLT1 Q03111 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ FYN P06241 4/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL425372 0.99 FAAH (0.67) FAAHCES2USP19MLLT3MLLT1
SCHEMBL427817 0.97 FAAH (0.65) FAAHCES2USP19MLLT3MLLT1
SCHEMBL16433307 0.90 FAAH (0.54) FAAHCES2MLLT3MLLT1HSD17B1
Bromide SCHEMBL17819169 0.89 FAAH (0.53) FAAHCES2MLLT3MLLT1HSD17B1
SCHEMBL14950284 0.88 FAAH (0.66) FAAHCES2USP19TRPV1TRPA1
SCHEMBL424383 0.88 FAAH (0.74) FAAHCES2USP19TRPV1TRPA1
SCHEMBL427874 0.88 FAAH (0.64) FAAHCES2USP19TRPV1TRPA1
SCHEMBL526192 0.87 FAAH (0.67) FAAHCES2USP19TRPV1TRPA1
SCHEMBL15554007 0.87 FAAH (0.64) FAAHCES2USP19TRPV1TRPA1
SCHEMBL424585 0.87 FAAH (0.67) FAAHCES2USP19TRPV1TRPA1

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 7 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 — — WO 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 62/4885USP19 744/4885

“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.

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