SCHEMBL7127586

SCHEMBL7127586

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nc(Cl)co2)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 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
EZH2 Q15910 2/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SSTR3 P32745 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 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
SCHEMBL7115206 0.88 ADAM17 (0.36) MMP2MMP7MMP9MMP13SLC6A3
SCHEMBL7123287 0.87 EPHX2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7126693 0.86 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123406 0.86 F10 (0.35) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7116853 0.85 SCN9A (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7122352 0.85 MMP2 (0.34) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7121682 0.84 ALDH1A1 (0.36) TSHR
SCHEMBL7122601 0.83 MMP2 (0.36) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7115210 0.82 MMP2 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7234082 0.82 CHRNB2 (0.32) SLC6A3SLC6A4CHRNB2CHRNA4

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.