SCHEMBL7123363

SCHEMBL7123363

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(Cl)ccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
GRM5 P41594 8/20 0.39
LOXL2 Q9Y4K0 5/20 0.37
LOX P28300 4/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7124884 0.88 POLB (0.39) MMP13GRM5LOXL2LOXMMP2
SCHEMBL7114437 0.87 LOX (0.40) GRM5LOXL2LOX
SCHEMBL7125270 0.87 LOXL2 (0.38) MMP13LOXL2LOXMMP2MMP7
SCHEMBL7122473 0.85 EPHX2 (0.39) MMP13GRM5LOXL2LOXMMP2
SCHEMBL7119303 0.85 SCN9A (0.44) SCN9A
SCHEMBL7125155 0.85 POLB (0.41) MMP13MMP2MMP7MMP9SCN9A
SCHEMBL7117240 0.85 TAS1R3 (0.43) MMP13GRM5MMP2MMP7MMP9
SCHEMBL7125166 0.85 KMT2A (0.40) MMP13GRM5LOXL2LOXMMP2
SCHEMBL7124966 0.84 SLC6A4 (0.46) MMP13MMP1GRM5MMP2MMP7
SCHEMBL7116456 0.83 EGLN1 (0.39) MMP13GRM5MMP2MMP7MMP9

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 MMP13 4102/4885MMP1 2371/4885GRM5 2824/4885

“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.