SCHEMBL7123409

SCHEMBL7123409

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nc(C(F)(F)F)cs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 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
TRPV1 Q8NER1 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HDAC4 P56524 4/20 0.32
HDAC6 Q9UBN7 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MLYCD O95822 1/20 0.31
GRM5 P41594 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL7120647 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13TRPV1
SCHEMBL7119410 0.85 NPC1 (0.37) MMP2MMP7MMP9MMP13HDAC6
SCHEMBL7124892 0.84 MMP2 (0.35) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7124909 0.84 EPHX2 (0.35) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7123450 0.84 MMP2 (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7118035 0.82 MMP2 (0.34) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7125224 0.82 NPC1 (0.41) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7127607 0.82 CHRNA7 (0.34) TRPV1HDAC4HDAC6MLYCD
SCHEMBL7123453 0.82 LOXL2 (0.42) SCN9AMMP2MMP7MMP9MMP13
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 1704/4885MMP2 3731/4885MMP7 2061/4885

“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.