SCHEMBL7115206

SCHEMBL7115206

Cc1coc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
EZH2 Q15910 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
F10 P00742 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL7126693 0.88 MMP2 (0.35) ADAM17MMP2MMP7MMP9MMP13
SCHEMBL7123406 0.88 F10 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127586 0.88 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116853 0.87 SCN9A (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7123287 0.87 EPHX2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7122352 0.87 MMP2 (0.34) ADAM17MMP2MMP7MMP9MMP13
SCHEMBL7121682 0.84 ALDH1A1 (0.36) ADAM17
SCHEMBL7116925 0.83 MMP13 (0.36) ADAM17MMP2MMP7MMP9MMP13
SCHEMBL7115210 0.82 MMP2 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7222697 0.82 SLC6A3 (0.32) SLC6A2SLC6A4SLC6A3

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 ADAM17 4363/4885MMP2 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.