SCHEMBL22957488

SCHEMBL22957488

CC(C)(C)OC(=O)N1CC=C(c2ccc(CC#N)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
GRM1 Q13255 8/20 0.46
GRM5 P41594 8/20 0.46
HTR6 P50406 1/20 0.46
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KIT P10721 1/20 0.42
CNR1 P21554 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL3436177 0.86 PDK4 (0.52) PDK4GRM1GRM5HTR6EED
SCHEMBL22957463 0.86 PDK4 (0.51) PDK4GRM1GRM5HTR6CDK9
SCHEMBL19212418 0.84 TRPV1 (0.40) CDK9CCNT1JAK1
SCHEMBL17825458 0.84 GPR119 (0.55) PDK4GRM1GRM5HTR6GPR119
SCHEMBL25377179 0.84 PDK4 (0.52) PDK4GRM1GRM5HTR6CDK9
SCHEMBL13993111 0.83 GRM1 (0.57) PDK4GRM1GRM5HTR6CDK9
SCHEMBL22325010 0.83 PDK4 (0.48) PDK4GRM1GRM5HTR6CDK9
SCHEMBL29580725 0.83 PDK4 (0.48) PDK4GRM1GRM5HTR6CDK9
SCHEMBL31342062 0.82 PDK4 (0.50) PDK4GRM1GRM5HTR6CDK9
SCHEMBL24310174 0.82 PDK4 (0.55) PDK4GRM1GRM5HTR6CDK9

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
EP-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 EP disclosed
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 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 (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-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDK4 3136/4885GRM1 1928/4885GRM5 1630/4885

“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.