SCHEMBL7122479

SCHEMBL7122479

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(N3CCOCC3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
MAPT P10636 4/20 0.39
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM1B Q8NB78 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGDS O60760 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7125332 0.87 HDAC1 (0.38) USP30MAPTDRD2HTR2ADRD3
SCHEMBL7123901 0.85 RIPK2 (0.41) USP30MAPTKDM1AMAOAMAOB
SCHEMBL7118044 0.84 USP30 (0.45) USP30MAPTKDM1AKDM4EHPGDS
SCHEMBL7125408 0.82 USP30 (0.39) USP30MAPTHPGDSLMNAHTT
SCHEMBL7116992 0.82 CHRNA7 (0.35) USP30MAPTKDM1AKDM4EHPGDS
SCHEMBL7123439 0.82 SCD5 (0.36) USP30MAPTKDM4ELMNAHTT
SCHEMBL7127355 0.82 CHRNA7 (0.35) USP30MAPTKDM4EHPGDSLMNA
SCHEMBL7125286 0.82 CHRNA7 (0.37) USP30MAPTKDM4EHPGDSLMNA
SCHEMBL7114490 0.82 CHRNA7 (0.35) USP30MAPTKDM4EHPGDSLMNA
SCHEMBL7124402 0.82 BRAF (0.40) SMN1; SMN2MEN1KMT2ARAB9ATP53

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 2511/4885MAPT 4698/4885KDM1A 762/4885

“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.