SCHEMBL425471

SCHEMBL425471

CN(C(=O)n1nnc2cc(Br)ccc21)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ITK Q08881 1/20 0.40
TRPA1 O75762 1/20 0.40
MGLL Q99685 1/20 0.40
HCAR3 P49019 3/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MGAM O43451 1/20 0.37
F12 P00748 1/20 0.37
AMY1A P0DUB6 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
SCHEMBL7899251 0.85 TRPV1 (0.43) TRPV1LMNAALDH1A1SMN1; SMN2USP2
SCHEMBL427978 0.84 KCNMA1 (0.50) TRPV1LMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL427875 0.84 HCAR3 (0.46) TRPV1NPSR1ALDH1A1SMN1; SMN2USP2
SCHEMBL424342 0.83 TRPV1 (0.53) TRPV1NPSR1ALDH1A1USP2TRPA1
SCHEMBL427404 0.82 HCAR3 (0.44) TRPV1NPSR1ALDH1A1SMN1; SMN2USP2
SCHEMBL427316 0.82 TRPV1 (0.48) TRPV1LMNAALDH1A1SMN1; SMN2USP2
SCHEMBL427980 0.81 MGAM (0.47) TRPV1LMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL424622 0.81 KMT2A (0.51) TRPV1NPSR1ALDH1A1TRPA1MGLL
SCHEMBL425717 0.80 TRPV1 (0.45) TRPV1NPSR1ALDH1A1SMN1; SMN2USP2
SCHEMBL426739 0.79 TRPV1 (0.50) TRPV1ALDH1A1SMN1; SMN2USP2TRPA1

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
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 165/4885LMNA 2523/4885NPSR1 384/4885

“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.