SCHEMBL427316

SCHEMBL427316

CN(C(=O)n1nnc2cc(-c3ccc(F)cc3)ccc21)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
TRPA1 O75762 1/20 0.44
MGLL Q99685 1/20 0.44
GRIN2B Q13224 2/20 0.43
KCNMA1 Q12791 2/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.41
TSHR P16473 1/20 0.40
ITK Q08881 1/20 0.40
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 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
SCHEMBL424386 0.91 TRPV1 (0.48) TRPV1TRPA1MGLLGRIN2BKCNH2
SCHEMBL426739 0.83 TRPV1 (0.50) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL426744 0.83 TRPV1 (0.47) TRPV1TRPA1MGLLKCNMA1TSHR
SCHEMBL427978 0.82 KCNMA1 (0.50) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL425471 0.82 TRPV1 (0.44) TRPV1TRPA1MGLLTSHRITK
SCHEMBL424376 0.82 TRPV1 (0.46) TRPV1TRPA1MGLLKCNMA1ITK
SCHEMBL7899251 0.81 TRPV1 (0.43) TRPV1TRPA1MGLLTSHRALDH1A1
SCHEMBL427875 0.80 HCAR3 (0.46) TRPV1ITKALDH1A1USP2SMN1; SMN2
SCHEMBL424342 0.79 TRPV1 (0.53) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL427404 0.79 HCAR3 (0.44) TRPV1ITKALDH1A1USP2SMN1; SMN2

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 165/4885TRPA1 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.