SCHEMBL30487489

SCHEMBL30487489

CCOC(=O)C(CCCc1ccc2cccnc2n1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
SUCNR1 Q9BXA5 11/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
OXGR1 Q96P68 2/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
BDKRB1 P46663 1/20 0.40

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
SCHEMBL21314499 1.00 TDP1 (0.48) TDP1SUCNR1MEN1KMT2AL3MBTL1
SCHEMBL6265814 0.82 SUCNR1 (0.53) SUCNR1ALDH1A1OXGR1KDM4EBDKRB1
SCHEMBL24194292 0.81 SUCNR1 (0.49) SUCNR1ALDH1A1OXGR1KDM4ELMNA
SCHEMBL17921405 0.80 SUCNR1 (0.48) SUCNR1ALDH1A1OXGR1KDM4ELMNA
SCHEMBL20024878 0.79 SUCNR1 (0.46) SUCNR1MEN1KMT2AALDH1A1OXGR1
SCHEMBL26971219 0.76 SUCNR1 (0.47) SUCNR1MEN1KMT2AOXGR1KDM4E
SCHEMBL31075741 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL20487944 0.76 PDE10A (0.43) TDP1SUCNR1MEN1KMT2AALDH1A1
SCHEMBL6421241 0.75 MAPT (0.46) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL6421236 0.75 MAPT (0.46) SUCNR1ALDH1A1OXGR1BDKRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 TDP1 4658/4885SUCNR1 2279/4885MEN1 1334/4885

“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.