SCHEMBL23898535

SCHEMBL23898535

CC(C)(C)OC(=O)N1CCC(c2c(C#N)c3cc(O)ccc3n2-c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23898536 0.91 POLB (0.39) POLBTP53LMNAMAPTGPR119
SCHEMBL23898531 0.83 KDM4E (0.37) POLBTP53SMN1; SMN2LMNAMAPT
SCHEMBL23898361 0.81 KDM4E (0.36) POLBTP53SMN1; SMN2LMNAMAPT
SCHEMBL23887039 0.78 SCN9A (0.36) POLBTP53LMNA
SCHEMBL23898532 0.78 KCNH2 (0.40)
SCHEMBL23898537 0.76 KDM4E (0.35) POLBTP53SMN1; SMN2LMNAMAPT
SCHEMBL23898538 0.73 ALDH1A1 (0.34) POLBMEN1KMT2A
SCHEMBL6966415 0.73 GPR119 (0.47) GPR119
SCHEMBL23898360 0.71 KDM4E (0.40) POLBSMN1; SMN2LMNAMAPTMEN1
SCHEMBL7655636 0.71 GPR119 (0.52) TP53SMN1; SMN2LMNAMAPTGPR119

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 673/4885TP53 4494/4885SMN1; SMN2 2473/4885

“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.