SCHEMBL4398466

SCHEMBL4398466

CC(C)(C)C1CC(O)CCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK1 Q13546 1/20 0.36
DPP4 P27487 6/20 0.35
ACE P12821 3/20 0.35
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
DPP7 Q9UHL4 3/20 0.33
FAP Q12884 2/20 0.33
PITRM1 Q5JRX3 1/20 0.31

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
SCHEMBL75974 0.89 RIPK1 (0.33) RIPK1DPP4
SCHEMBL2240055 0.83 LMNA (0.44) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL1362536 0.81 DPP4 (0.37) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL22518635 0.79 PREP (0.34) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL22518585 0.79 DPP4 (0.36) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL1592790 0.78 LMNA (0.40) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL143131 0.78 ATM (0.44) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL22518594 0.77 HCRTR2 (0.32) LMNAHSD17B10CYP2C19RIPK1DPP4
SCHEMBL25348697 0.77 RIPK1 (0.32) RIPK1DPP4
SCHEMBL29481524 0.76 LMNA (0.44) LMNAHSD17B10CYP2C19RIPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 US disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 US disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 EP disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 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 (3 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-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 LMNA 2257/4885HSD17B10 4376/4885CYP2C19 4227/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 LMNA 1425/4885HSD17B10 3540/4885CYP2C19 2475/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 LMNA 4312/4885HSD17B10 1697/4885CYP2C19 2/4885

“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.