SCHEMBL7123858

SCHEMBL7123858

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
HPGDS O60760 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
STAT3 P40763 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BTK Q06187 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK13 O15264 1/20 0.40
DGAT1 O75907 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL7120787 0.89 MAPK13 (0.51) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7118044 0.85 USP30 (0.45) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7121682 0.85 ALDH1A1 (0.36) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7122331 0.85 RIPK2 (0.41) USP30MAPTALDH1A1KDM4EMAPK13
SCHEMBL7117122 0.84 ACACB (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1BTK
SCHEMBL7116957 0.84 ALDH1A1 (0.35) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7123345 0.84 ALDH1A1 (0.37) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7125408 0.84 USP30 (0.39) USP30HPGDSMAPTSMN1; SMN2CYP2C19
SCHEMBL7113557 0.84 ALDH1A1 (0.35) USP30HPGDSMAPTSMN1; SMN2CYP1A2
SCHEMBL7115227 0.83 MEN1 (0.36) USP30HPGDSSMN1; SMN2CYP1A2CYP2C19

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 2511/4885HPGDS 1949/4885MAPT 4698/4885

“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.