SCHEMBL7123901

SCHEMBL7123901

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cncc(N3CCOCC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.41
MAPT P10636 4/20 0.39
GSK3B P49841 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM1B Q8NB78 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 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
SCHEMBL7122331 0.86 RIPK2 (0.41) RIPK2MAPTGSK3BUSP30ALDH1A1
SCHEMBL7122479 0.85 USP30 (0.39) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7118044 0.85 USP30 (0.45) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7125332 0.84 HDAC1 (0.38) MAPTUSP30CHRNA7FLT3
SCHEMBL7123497 0.84 USP30 (0.38) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7122345 0.84 USP30 (0.38) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7113638 0.83 PIK3CA (0.43) MAPTUSP30CHRNA7ALDH1A1
SCHEMBL7116992 0.81 CHRNA7 (0.35) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7127355 0.81 CHRNA7 (0.35) MAPTUSP30CHRNA7ALDH1A1KDM4E
SCHEMBL7123439 0.81 SCD5 (0.36) MAPTUSP30CHRNA7ALDH1A1KDM4E

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 RIPK2 4371/4885MAPT 4698/4885GSK3B 3638/4885

“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.