SCHEMBL7122435

SCHEMBL7122435

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ncc(Cl)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 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
F10 P00742 2/20 0.35
ACACB O00763 1/20 0.35
SLC8A1 P32418 2/20 0.34
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 3/20 0.33
CHRNA4 P43681 3/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRNB4 P30926 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
SCHEMBL7125243 0.88 ALDH1A1 (0.38) CHRNA7MMP2MMP7MMP9MMP13
SCHEMBL7127620 0.86 POLB (0.36) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7117176 0.86 SLC8A1 (0.38) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7122587 0.86 ACACB (0.41) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7126619 0.85 SCN9A (0.37) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7124235 0.85 MMP2 (0.36) CHRNA7MMP2MMP7MMP9MMP13
SCHEMBL7120336 0.85 ACACB (0.38) MMP2MMP7MMP9MMP13ACACB
SCHEMBL7124979 0.84 F10 (0.38) CHRNA7MMP2MMP7MMP9MMP13
SCHEMBL7232105 0.84 SLC8A1 (0.43) SLC8A1SLC6A4SLC6A3
SCHEMBL7121872 0.83 KCNQ3 (0.46) CHRNA7MMP2MMP7MMP9MMP13

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 CHRNA7 397/4885MMP2 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.