SCHEMBL7126688

SCHEMBL7126688

COc1ncc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
NAAA Q02083 1/20 0.35
HTR4 Q13639 1/20 0.35
GCK P35557 1/20 0.34
GRM5 P41594 1/20 0.34
EZH2 Q15910 1/20 0.34
POLB P06746 1/20 0.34
PAK1 Q13153 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SSTR3 P32745 1/20 0.33
F10 P00742 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
SCHEMBL7127620 0.92 POLB (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7120608 0.88 POLB (0.37) MMP2MMP7MMP9MMP13GCK
SCHEMBL7116208 0.87 POLB (0.36) MMP2MMP7MMP9MMP13GCK
SCHEMBL7124979 0.86 F10 (0.38) MMP2MMP7MMP9MMP13GCK
SCHEMBL7127379 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7231932 0.85 HTR4 (0.38) HTR4
SCHEMBL7125215 0.85 MMP2 (0.38) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7120560 0.85 GCK (0.42) MMP2MMP7MMP9MMP13GCK
SCHEMBL7116341 0.85 EPHX2 (0.35) MMP2MMP7MMP9MMP13GCK
SCHEMBL7231604 0.85 SLC6A3 (0.32)

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.