SCHEMBL7122345

SCHEMBL7122345

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(N3CCOCC3)co2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.38
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM1B Q8NB78 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CTSC P53634 1/20 0.33
DRD2 P14416 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
SCHEMBL7115957 0.84 USP30 (0.38) USP30CHRNA7KDM4EALDH1A1MAPT
SCHEMBL7123497 0.84 USP30 (0.38) USP30CHRNA7KDM4EALDH1A1KDM1A
SCHEMBL7123901 0.84 RIPK2 (0.41) USP30CHRNA7KDM4EALDH1A1KDM1A
SCHEMBL7125332 0.82 HDAC1 (0.38) USP30CHRNA7MAPTDRD2HTR2A
SCHEMBL7115036 0.82 USP30 (0.38) USP30KDM4EALDH1A1KDM1AMAOA
SCHEMBL7116891 0.82 CHRNA7 (0.36) USP30CHRNA7KDM4EALDH1A1MAPT
SCHEMBL7116310 0.82 CHRNA7 (0.35) CHRNA7MEN1KMT2A
SCHEMBL7123960 0.82 CHRNA7 (0.35) CHRNA7NPC1RAB9A
SCHEMBL7122479 0.81 USP30 (0.39) USP30CHRNA7KDM4EALDH1A1KDM1A
SCHEMBL7114490 0.81 CHRNA7 (0.35) USP30CHRNA7KDM4EALDH1A1MAPT

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 USP30 2511/4885CHRNA7 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.