SCHEMBL7123316

SCHEMBL7123316

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nnc(N3CCOCC3)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
USP30 Q70CQ3 5/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
BTK Q06187 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK13 O15264 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
SCHEMBL7116957 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EUSP30HTR3AKCNH2
SCHEMBL7123345 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30TSHRNPSR1
SCHEMBL7121682 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EUSP30BTKTSHR
SCHEMBL7122475 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30TSHRNPSR1
SCHEMBL7124755 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30TSHRNPSR1
SCHEMBL7114466 0.82 CHRNA7 (0.36) ALDH1A1KDM4EUSP30HTR3AKCNH2
SCHEMBL7124860 0.82 GRM5 (0.37) HTR3AMMP2MMP7MMP9MMP13
SCHEMBL7122601 0.82 MMP2 (0.36) HTR3ATSHRMMP2MMP7MMP9
SCHEMBL7116925 0.82 MMP13 (0.36) HTR3AMMP2MMP7MMP9MMP13
SCHEMBL7116892 0.81 DGAT1 (0.43) ALDH1A1KDM4EUSP30BTKTSHR

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.