SCHEMBL7126619

SCHEMBL7126619

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ncc(C(F)(F)F)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
MLYCD O95822 1/20 0.36
SLC6A5 Q9Y345 2/20 0.35
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 1/20 0.33
SLC8A1 P32418 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HPGDS O60760 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7125243 0.85 ALDH1A1 (0.38) MMP2MMP7MMP9MMP13SMN1; SMN2
SCHEMBL7122435 0.85 CHRNA7 (0.36) MMP2MMP7MMP9MMP13SMN1; SMN2
SCHEMBL7127620 0.84 POLB (0.36) MMP2MMP7MMP9MMP13SMN1; SMN2
SCHEMBL7122587 0.84 ACACB (0.41) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7117176 0.84 SLC8A1 (0.38) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7125224 0.84 NPC1 (0.41) SCN9AMLYCDSLC6A5MMP2MMP7
SCHEMBL7117250 0.83 MMP2 (0.36) SCN9AMLYCDSLC6A5MMP2MMP7
SCHEMBL7123807 0.83 SCN9A (0.37) SCN9AMLYCDSLC6A5MMP2MMP7
SCHEMBL7120336 0.82 ACACB (0.38) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7120386 0.82 SCN9A (0.43) SCN9AMMP2MMP7MMP9MMP13

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 1704/4885MLYCD 4004/4885SLC6A5 3970/4885

“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.