SCHEMBL7122587

SCHEMBL7122587

N#Cc1cnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.41
ACACA Q13085 10/20 0.39
EPHX2 P34913 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL7122435 0.86 CHRNA7 (0.36) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7125243 0.86 ALDH1A1 (0.38) ACACBACACAMMP2MMP7MMP9
SCHEMBL7115944 0.85 EPHX2 (0.36) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7127620 0.85 POLB (0.36) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7116341 0.85 EPHX2 (0.35) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7117176 0.85 SLC8A1 (0.38) ACACBACACAMMP2MMP7MMP9
SCHEMBL7120369 0.84 EPHX2 (0.36) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7126619 0.84 SCN9A (0.37) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7123432 0.83 MMP2 (0.39) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7120336 0.83 ACACB (0.38) ACACBACACAMMP2MMP7MMP9

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 ACACB 1359/4885ACACA 1449/4885EPHX2 194/4885

“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.