SCHEMBL7121813

SCHEMBL7121813

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cncc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
SCN9A Q15858 2/20 0.41
RAF1 P04049 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP36 Q9P275 1/20 0.36
NAAA Q02083 1/20 0.36
RIPK2 O43353 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
MAPK14 Q16539 2/20 0.35
LMNA P02545 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
SCHEMBL7124913 0.85 MMP2 (0.39) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7116981 0.85 NAAA (0.41) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125206 0.85 EZH2 (0.41) MMP2MMP7MMP9MMP13SMN1; SMN2
SCHEMBL7116064 0.84 MMP2 (0.38) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7124224 0.83 CCR2 (0.37) SCN9ARIPK2CHRNB2CHRNA4
SCHEMBL7117106 0.83 SCN9A (0.56) SCN9ALMNA
SCHEMBL7125203 0.83 EPHX2 (0.40) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7120386 0.82 SCN9A (0.43) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7124006 0.82 MAPT (0.40) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7119303 0.82 SCN9A (0.44) SCN9ASLC6A5LMNA

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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 (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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 TLR8 3535/4885SCN9A 1704/4885RAF1 3685/4885

“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.