SCHEMBL7124919

SCHEMBL7124919

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2ccc(C#CCO)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SSTR3 P32745 1/20 0.34
PIN1 Q13526 1/20 0.33
EPHX2 P34913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
DRD4 P21917 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
SLC6A12 P48065 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL7115105 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SSTR3EPHX2
SCHEMBL6100339 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SSTR3EPHX2
SCHEMBL6099892 0.85 EPHX2 (0.45) EPHX2DRD2DRD3
SCHEMBL7125167 0.81 CHRNB4 (0.34) SSTR3PIN1DRD4CHRNA3CHRNA7
SCHEMBL7123918 0.81 CHRNB4 (0.34) SSTR3PIN1DRD4CHRNA3SLC6A12
SCHEMBL7121745 0.80 CHRNB2 (0.40) SSTR3DRD4CHRNB2CHRNA7SLC6A12
SCHEMBL6098344 0.80 CHRNB4 (0.39) SSTR3DRD4CHRNA3CHRNA7SLC6A12
SCHEMBL6100330 0.80 SSTR3 (0.47) SSTR3DRD4SLC6A12SLC6A13
SCHEMBL7121130 0.79 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3SSTR3CHRNA7
SCHEMBL7121774 0.79 CHRNA7 (0.36) SSTR3DRD4CHRNA3CHRNA7SLC6A12

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 MELK 3161/4885SLC6A2 1156/4885SLC6A4 2137/4885

“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.