SCHEMBL7124979

SCHEMBL7124979

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cnc(Cl)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
GCK P35557 1/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNA7 P36544 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A4 P31645 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
SCHEMBL7120608 0.88 POLB (0.37) GCKMMP2MMP7MMP9MMP13
SCHEMBL7116208 0.87 POLB (0.36) GCKMMP2MMP7MMP9MMP13
SCHEMBL7126688 0.86 MMP2 (0.35) F10GCKMMP2MMP7MMP9
SCHEMBL7116341 0.86 EPHX2 (0.35) GCKMMP2MMP7MMP9MMP13
SCHEMBL7123807 0.85 SCN9A (0.37) GCKMMP2MMP7MMP9MMP13
SCHEMBL7234386 0.85 SLC6A4 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7120560 0.85 GCK (0.42) GCKMMP2MMP7MMP9MMP13
SCHEMBL7121113 0.85 MMP2 (0.38) F10MMP2MMP7MMP9MMP13
SCHEMBL7224471 0.84 F10 (0.35) F10CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL7122435 0.84 CHRNA7 (0.36) F10MMP2MMP7MMP9MMP13

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 F10 4216/4885GCK 1495/4885MMP2 3731/4885

“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.