SCHEMBL7124878

SCHEMBL7124878

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nc(N3CCOCC3)cs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
CHRNA7 P36544 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP30 Q70CQ3 2/20 0.35
HPGDS O60760 1/20 0.34
GAA P10253 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL7116891 0.87 CHRNA7 (0.36) ADAM17CHRNA7KDM4EALDH1A1USP30
SCHEMBL7125286 0.84 CHRNA7 (0.37) ADAM17CHRNA7KDM4EALDH1A1USP30
SCHEMBL7120715 0.84 DGAT1 (0.39) CHRNA7KDM4EALDH1A1USP30GAA
SCHEMBL7118044 0.84 USP30 (0.45) CHRNA7KDM4EALDH1A1USP30HPGDS
SCHEMBL7115227 0.83 MEN1 (0.36) ADAM17KDM4EALDH1A1USP30HPGDS
SCHEMBL7125161 0.83 RIPK2 (0.37) CHRNA7KDM4EALDH1A1USP30HPGDS
SCHEMBL7113638 0.82 PIK3CA (0.43) CHRNA7ALDH1A1USP30ATRATRIP
SCHEMBL7123497 0.81 USP30 (0.38) CHRNA7KDM4EALDH1A1USP30MAPT
SCHEMBL7123302 0.81 MAPT (0.38) CHRNA7KDM4EALDH1A1GAAMAPT
SCHEMBL7122527 0.81 CHRNA7 (0.35) CHRNA7ALDH1A1

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 ADAM17 4363/4885CHRNA7 397/4885KDM4E 392/4885

“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.