SCHEMBL21611533

SCHEMBL21611533

O=C(O)C1CCC(F)(F)CC1c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.38
KCNQ2 O43526 3/20 0.38
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADORA2B P29275 10/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 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
SCHEMBL21611529 1.00 KCNQ3 (0.38) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL21611532 1.00 KCNQ3 (0.38) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492105 0.81 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492099 0.81 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492104 0.81 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492042 0.77 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492037 0.77 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL22492040 0.77 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL2037988 0.76 SLC6A2 (0.38) KCNQ3KCNQ2POLBADORA2BGRM2
SCHEMBL22492046 0.76 POLB (0.36) KCNQ3KCNQ2KCNQ4KCNQ5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332472-B2 Substituted piperidines as inhibitors of ubiquitin specific protease 7 LES LABORATOIRES SERVIER (FR) 2022-05-17 US disclosed
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2021-07-22 US disclosed
EP-3818054-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2021-05-12 EP disclosed
CN-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 CN disclosed
US-20200407363-A1 NEW PIPERIDINYL DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 LES LABORATOIRES SERVIER (FR) 2020-12-31 US disclosed
EP-3717482-A1 NEW PIPERIDINYL DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Les Laboratoires Servier SAS (FR) 2020-10-07 EP disclosed
CN-111542524-A Novel piperidinyl derivatives as inhibitors of ubiquitin-specific protease 7 法国施维雅药厂 2020-08-14 CN disclosed
WO-2020008013-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-01-09 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 (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-11332472-B2 Substituted piperidines as inhibitors of ubiquitin specific protease 7 USP7, PSMA7, PSMB7 KCNQ3 4231/4885KCNQ2 3921/4885KCNQ4 4466/4885
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DHFR, QDPR, DPYD KCNQ3 914/4885KCNQ2 766/4885KCNQ4 1112/4885
US-20200407363-A1 NEW PIPERIDINYL DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 PSMB7, PSMA7, USP7 KCNQ3 4378/4885KCNQ2 3943/4885KCNQ4 4511/4885

“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.