SCHEMBL7123345

SCHEMBL7123345

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ncc(N3CCOCC3)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP30 Q70CQ3 5/20 0.35
HPGDS O60760 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPK13 O15264 1/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 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
SCHEMBL7124755 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30SMN1; SMN2GAA
SCHEMBL7122475 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30SMN1; SMN2GAA
SCHEMBL7123316 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EUSP30SMN1; SMN2MAPK13
SCHEMBL7116957 0.84 ALDH1A1 (0.35) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7123858 0.84 USP30 (0.45) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7121682 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7116992 0.82 CHRNA7 (0.35) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7121821 0.82 SCD5 (0.38) ALDH1A1KDM4EUSP30SMN1; SMN2MAPK13
SCHEMBL7113557 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EUSP30HPGDSSMN1; SMN2
SCHEMBL7125408 0.82 USP30 (0.39) ALDH1A1USP30HPGDSSMN1; SMN2GAA

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 392/4885USP30 2511/4885

“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.