SCHEMBL7127574

SCHEMBL7127574

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(C(F)(F)F)cs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
SLC6A5 Q9Y345 4/20 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
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CCR2 P41597 4/20 0.33
MAPK14 Q16539 2/20 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
SCHEMBL7116316 0.86 EZH2 (0.37) MMP2MMP7MMP9MMP13
SCHEMBL7125251 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7113591 0.85 MMP2 (0.39) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7123997 0.84 HTR4 (0.40) MMP2MMP7MMP9MMP13
SCHEMBL6303483 0.83 SCN9A (0.37) SCN9ASLC6A5MMP2MMP7MMP9
SCHEMBL6310849 0.83 SCN9A (0.39) SCN9ASLC6A5MMP2MMP7MMP9
SCHEMBL7127352 0.83 EPHX2 (0.40) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7117250 0.82 MMP2 (0.36) SCN9ASLC6A5MMP2MMP7MMP9
SCHEMBL7122675 0.82 MMP2 (0.34) MMP2MMP7MMP9MMP13KDM4E
SCHEMBL7125072 0.82 CCR2 (0.37) TAS1R3TAS1R1TAS1R2CCR2

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 1704/4885SLC6A5 3970/4885MMP2 3731/4885

“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.