SCHEMBL7121276

SCHEMBL7121276

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(C(F)(F)F)on2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
HDAC4 P56524 12/20 0.37
HDAC6 Q9UBN7 5/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL7123959 0.86 RAB9A (0.40) LMNAMAPTMMP2MMP7MMP9
SCHEMBL7126680 0.86 MMP2 (0.36) SCN9ALMNAMAPTMMP2MMP7
SCHEMBL7123855 0.85 F10 (0.37) LMNAMAPTMMP2MMP7MMP9
SCHEMBL7115187 0.85 MMP2 (0.35) SCN9ALMNAMAPTMMP2MMP7
SCHEMBL7114304 0.84 PTGDR2 (0.37) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7124019 0.83 MAPT (0.34) SCN9ALMNAMAPTMMP2MMP7
SCHEMBL7125228 0.83 SCN9A (0.38) SCN9AHDAC4HDAC6LMNAMMP2
SCHEMBL7124875 0.82 MMP2 (0.36) SCN9AHDAC4HDAC6MMP2MMP7
SCHEMBL7122588 0.82 SCN9A (0.39) SCN9ALMNAMMP2MMP7MMP9
SCHEMBL7119303 0.82 SCN9A (0.44) SCN9ALMNA

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 SCN9A 1704/4885HDAC4 1755/4885HDAC6 760/4885

“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.