SCHEMBL7125350

SCHEMBL7125350

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ncc(Cl)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
NAAA Q02083 1/20 0.33
GRM5 P41594 1/20 0.33
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNA7 P36544 4/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7127646 0.88 MMP13 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7120665 0.86 MMP2 (0.35) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125228 0.86 SCN9A (0.38) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7117119 0.86 NAAA (0.39) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7123385 0.85 PTGDR2 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7122601 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7124590 0.85 MMP2 (0.34) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7115059 0.85 MMP2 (0.38) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7127462 0.84 MMP2 (0.36) MMP2MMP7MMP9MMP13KCNQ3
SCHEMBL7121872 0.83 KCNQ3 (0.46) MMP2MMP7MMP9MMP13KCNQ3

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 MMP2 3731/4885MMP7 2061/4885MMP9 3029/4885

“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.