SCHEMBL8211754

SCHEMBL8211754

Cn1nnc(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL30967619 0.84 KDM4E (0.43) TRPM8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13841588 0.82 NPC1 (0.54) TRPM8NPC1NFKB1RAB9ANFKB2
SCHEMBL13947045 0.77 LMNA (0.54) TRPM8SMN1; SMN2KMT2A
SCHEMBL22911187 0.76 RAB9A (0.36) TRPM8NPC1NFKB1RAB9ANFKB2
SCHEMBL13863976 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HRH4KDM4E
SCHEMBL8219250 0.76 NPC1 (0.49) TRPM8NPC1NFKB1RAB9ANFKB2
SCHEMBL2611124 0.76 XPO1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2611133 0.74 KDM2B (0.37) TRPM8NPC1NFKB1RAB9ANFKB2
SCHEMBL8553788 0.73 CA1 (0.46) TRPM8NPC1NFKB1RAB9ANFKB2
SCHEMBL15261817 0.73 RAB9A (0.35) TRPM8NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 TRPM8 1762/4885NPC1 314/4885NFKB1 1422/4885

“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.