SCHEMBL7124590

SCHEMBL7124590

CC(=O)Nc1cnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
NAAA Q02083 2/20 0.32
EZH2 Q15910 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
BTK Q06187 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7120665 0.87 MMP2 (0.35) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7127646 0.87 MMP13 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7117119 0.85 NAAA (0.39) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125350 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7116966 0.84 ADCY1 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7120613 0.84 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127490 0.83 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7125228 0.83 SCN9A (0.38) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7123385 0.82 PTGDR2 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7113509 0.82 CHRNA7 (0.33) EZH2

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.