SCHEMBL424376

SCHEMBL424376

CN(C(=O)n1nnc2cc(-c3cccc(C#N)c3)ccc21)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TRPA1 O75762 1/20 0.42
MGLL Q99685 1/20 0.42
MCHR1 Q99705 5/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
KCNMA1 Q12791 1/20 0.39
ITK Q08881 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
USP30 Q70CQ3 3/20 0.37
UCHL1 P09936 1/20 0.37
FAAH O00519 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL426739 0.84 TRPV1 (0.50) TRPV1TRPA1MGLLKCNMA1MEN1
SCHEMBL426744 0.83 TRPV1 (0.47) TRPV1TRPA1MGLLKCNMA1ITK
SCHEMBL427316 0.82 TRPV1 (0.48) TRPV1TRPA1MGLLKCNMA1ITK
SCHEMBL425471 0.77 TRPV1 (0.44) TRPV1TRPA1MGLLITKALDH1A1
SCHEMBL424342 0.77 TRPV1 (0.53) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL7899251 0.76 TRPV1 (0.43) TRPV1TRPA1MGLLMEN1ALDH1A1
SCHEMBL425482 0.76 TRPV1 (0.47) TRPV1TRPA1MGLLMEN1ALDH1A1
SCHEMBL427978 0.75 KCNMA1 (0.50) TRPV1TRPA1MGLLKCNMA1MEN1
SCHEMBL427875 0.75 HCAR3 (0.46) TRPV1ITKALDH1A1POLBKMT2A
SCHEMBL424622 0.75 KMT2A (0.51) TRPV1TRPA1MGLLKCNMA1ALDH1A1

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
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 TRPV1 165/4885MCOLN3 1186/4885TRPA1 637/4885

“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.