SCHEMBL7126680

SCHEMBL7126680

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(Cl)on2)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
GRM5 P41594 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL7123959 0.88 RAB9A (0.40) MMP2MMP7MMP9MMP13SLC6A3
SCHEMBL7123855 0.86 F10 (0.37) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7121276 0.86 SCN9A (0.39) MMP2MMP7MMP9MMP13F2
SCHEMBL7115187 0.86 MMP2 (0.35) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7114304 0.85 PTGDR2 (0.37) MMP2MMP7MMP9MMP13F2
SCHEMBL7124019 0.85 MAPT (0.34) MMP2MMP7MMP9MMP13F2
SCHEMBL7121821 0.82 SCD5 (0.38) MMP2MMP7MMP9MMP13LMNA
SCHEMBL7123363 0.82 MMP13 (0.40) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7120602 0.82 MMP2 (0.36) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7124966 0.82 SLC6A4 (0.46) MMP2MMP7MMP9MMP13GRM5

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.