SCHEMBL22010658

SCHEMBL22010658

CCOC(=O)CN(C(=O)C(C)(C)CC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
USP30 Q70CQ3 4/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PREP P48147 1/20 0.32
P2RX7 Q99572 1/20 0.32
LIPE Q05469 1/20 0.32
GLS O94925 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
SCHEMBL28604431 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24220741 0.90 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL21964127 0.89 L3MBTL1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL21964129 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL22011478 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28604432 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24220807 0.83 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28607247 0.83 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28602131 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28602133 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD

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-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2022-01-27 US disclosed
WO-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO 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-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, AGTR1 ALDH1A1 1456/4885MEN1 6/4885KMT2A 3969/4885

“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.