SCHEMBL7120635

SCHEMBL7120635

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cnc(N3CCOCC3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
RIPK2 O43353 1/20 0.39
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CHRNA7 P36544 2/20 0.35
USP30 Q70CQ3 2/20 0.34
HPGDS O60760 1/20 0.34
DGAT1 O75907 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TMPRSS15 P98073 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7120715 0.85 DGAT1 (0.39) KDM4EGAARIPK2ALDH1A1CHRNA7
SCHEMBL7120596 0.85 CHRNA7 (0.36) KDM4EGAAALDH1A1CHRNA7USP30
SCHEMBL7125161 0.84 RIPK2 (0.37) KDM4EGAARIPK2ALDH1A1CHRNA7
SCHEMBL7127427 0.84 F10 (0.38) ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL7118044 0.83 USP30 (0.45) KDM4EALDH1A1CHRNA7USP30HPGDS
SCHEMBL7121115 0.83 KDM4E (0.39) KDM4EGAARIPK2CTSKCTSC
SCHEMBL7123497 0.82 USP30 (0.38) KDM4EALDH1A1CHRNA7USP30LMNA
SCHEMBL7127355 0.82 CHRNA7 (0.35) KDM4EALDH1A1CHRNA7USP30HPGDS
SCHEMBL7122479 0.82 USP30 (0.39) KDM4EALDH1A1CHRNA7USP30HPGDS
SCHEMBL7114490 0.82 CHRNA7 (0.35) KDM4EALDH1A1CHRNA7USP30HPGDS

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 KDM4E 392/4885GAA 1117/4885RIPK2 4371/4885

“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.