SCHEMBL7121682

SCHEMBL7121682

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nc(N3CCOCC3)co2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK13 O15264 1/20 0.36
TSHR P16473 2/20 0.36
ADAM17 P78536 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP30 Q70CQ3 2/20 0.35
HPGDS O60760 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
BTK Q06187 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
PKM P14618 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 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
SCHEMBL7115227 0.87 MEN1 (0.36) ALDH1A1KDM4EMAPK13TSHRADAM17
SCHEMBL7117122 0.86 ACACB (0.39) ALDH1A1KDM4EMAPK13ADAM17SMN1; SMN2
SCHEMBL7123858 0.85 USP30 (0.45) ALDH1A1KDM4EMAPK13USP30HPGDS
SCHEMBL7123316 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK13TSHRNPSR1
SCHEMBL7120787 0.84 MAPK13 (0.51) ALDH1A1MAPK13USP30HPGDSSMN1; SMN2
SCHEMBL7123345 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EMAPK13TSHRNPSR1
SCHEMBL7127586 0.84 MMP2 (0.36) TSHR
SCHEMBL7115206 0.84 ADAM17 (0.36) ADAM17
SCHEMBL7123287 0.83 EPHX2 (0.36) USP30
SCHEMBL7115036 0.83 USP30 (0.38) ALDH1A1KDM4ETSHRUSP30PKM

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 ALDH1A1 870/4885KDM4E 392/4885MAPK13 4226/4885

“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.