SCHEMBL1043380

SCHEMBL1043380

Nc1nc2ccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.60
SCN4A P35499 2/20 0.53
EPHX2 P34913 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
SLC6A2 P23975 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL30451659 0.81 SCN4A (0.70) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL18004108 0.81 SCN4A (0.70) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL30450378 0.80 SCN4A (0.60) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL30450219 0.80 SCN4A (0.60) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL25259629 0.80 SCN4A (0.60) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL25257398 0.80 SCN4A (0.60) SCN4AEPHX2NPC1RAB9ATP53
SCHEMBL1041769 0.80 TRPV1 (0.64) TRPV1
SCHEMBL1043202 0.79 TRPV1 (0.72) TRPV1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1041133 0.78 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1038985 0.78 TRPV1 (0.68) TRPV1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 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 (3 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885SCN4A 663/4885EPHX2 4341/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885SCN4A 663/4885EPHX2 4341/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885SCN4A 706/4885EPHX2 4374/4885

“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.