SCHEMBL7119303

SCHEMBL7119303

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.44
FPR2 P25090 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
MGLL Q99685 1/20 0.38
LIPE Q05469 2/20 0.37
FAAH O00519 3/20 0.37
BRAF P15056 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL7117106 0.87 SCN9A (0.56) SCN9ASCN7AKCNH2LMNALIPE
SCHEMBL7124884 0.85 POLB (0.39) NPC1RAB9A
SCHEMBL7123363 0.85 MMP13 (0.40) SCN9A
SCHEMBL7114437 0.85 LOX (0.40) RAB9ALMNA
SCHEMBL7125270 0.85 LOXL2 (0.38) SCN9A
SCHEMBL7116320 0.84 SCN9A (0.39) SCN9ABRAF
SCHEMBL7122473 0.83 EPHX2 (0.39) SCN9AHCRTR1HCRTR2NPC1RAB9A
SCHEMBL7125166 0.82 KMT2A (0.40) SCN9A
SCHEMBL7121813 0.82 TLR8 (0.42) SCN9ALMNASLC6A5
SCHEMBL7121276 0.82 SCN9A (0.39) 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 1704/4885FPR2 2211/4885HCRTR1 881/4885

“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.