SCHEMBL424644

SCHEMBL424644

CN(C(=O)n1cnc(-c2ccccc2)n1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
TRPA1 O75762 1/20 0.51
MGLL Q99685 1/20 0.51
FAAH O00519 1/20 0.47
CES2 O00748 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.45
USP19 O94966 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
ABCC1 P33527 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 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
SCHEMBL2179538 0.80 BCHE (0.48) TRPV1MGLLFAAHALDH1A1MEN1
SCHEMBL424645 0.77 TRPV1 (0.53) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL424383 0.76 FAAH (0.74) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL425793 0.74 TRPV1 (0.47) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL424651 0.73 TRPV1 (0.47) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL1916590 0.73 HDAC1 (0.47) NPC1RAB9AL3MBTL1HPGDALDH1A1
SCHEMBL424585 0.71 FAAH (0.67) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL426144 0.71 KDM4E (0.53) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL11556857 0.71 CNR2 (0.47) TRPV1TRPA1MGLLFAAHCES2
SCHEMBL11558533 0.71 DPP4 (0.43) TRPV1TRPA1MGLLFAAHCES2

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 6 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

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 TRPV1 165/4885TRPA1 637/4885MGLL 11/4885

“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.