SCHEMBL7115227

SCHEMBL7115227

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nc(N3CCOCC3)cs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK13 O15264 1/20 0.35
ADAM17 P78536 1/20 0.34
USP30 Q70CQ3 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGDS O60760 1/20 0.34
BTK Q06187 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LRRK2 Q5S007 1/20 0.33
GAA P10253 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7121682 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK13ADAM17USP30
SCHEMBL7124878 0.83 ADAM17 (0.36) ALDH1A1KDM4EADAM17USP30HPGDS
SCHEMBL7117122 0.83 ACACB (0.39) ALDH1A1KDM4EMAPK13ADAM17BTK
SCHEMBL7116892 0.83 DGAT1 (0.43) KMT2AALDH1A1KDM4EUSP30TSHR
SCHEMBL7123858 0.83 USP30 (0.45) ALDH1A1KDM4EMAPK13USP30HPGDS
SCHEMBL7116841 0.83 NPC1 (0.37) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7127346 0.82 USP30 (0.38) MEN1KMT2AALDH1A1KDM4EUSP30
SCHEMBL7120787 0.82 MAPK13 (0.51) ALDH1A1MAPK13USP30HPGDSSMN1; SMN2
SCHEMBL7119410 0.82 NPC1 (0.37) ADAM17SMN1; SMN2
SCHEMBL7120647 0.82 MMP2 (0.36) TSHR

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 MEN1 2572/4885KMT2A 1264/4885ALDH1A1 870/4885

“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.