SCHEMBL23898536

SCHEMBL23898536

CC(C)(C)OC(=O)N1CC(c2c(C#N)c3cc(O)ccc3n2-c2ccc(F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
ESR2 Q92731 1/20 0.36
PLK1 P53350 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
REN P00797 1/20 0.34
HTR6 P50406 1/20 0.34
TP53 P04637 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL23898535 0.91 POLB (0.47) POLBGPR119MEN1KMT2ATP53
SCHEMBL23898361 0.80 KDM4E (0.36) POLBESR2MEN1KMT2AREN
SCHEMBL23898531 0.80 KDM4E (0.37) POLBESR2MEN1KMT2AREN
SCHEMBL23898537 0.77 KDM4E (0.35) POLBMEN1KMT2ARENTP53
SCHEMBL23887039 0.76 SCN9A (0.36) POLBTP53LMNA
SCHEMBL30176384 0.76 SCN9A (0.36) POLBTP53LMNA
SCHEMBL23898532 0.76 KCNH2 (0.40) RENHTR6
SCHEMBL23886821 0.73 POLB (0.47) POLBMEN1KMT2ALMNAMAPT
SCHEMBL30176326 0.73 POLB (0.47) POLBMEN1KMT2ALMNAMAPT
SCHEMBL23898360 0.72 KDM4E (0.40) POLBMEN1KMT2ARENSQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 POLB 673/4885HDAC1 568/4885HDAC2 2445/4885

“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.