SCHEMBL29977306

SCHEMBL29977306

CC(C)(C)OC(=O)N1CC=C(c2cnc(N)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.53
GRM5 P41594 11/20 0.53
PDK4 Q16654 1/20 0.51
ATR Q13535 2/20 0.50
CYP11B2 P19099 1/20 0.48
TNK2 Q07912 1/20 0.48
WNT3A P56704 1/20 0.47
BTK Q06187 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL21245864 1.00 GRM1 (0.53) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL18202599 0.86 GRM1 (0.53) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL21460207 0.86 GRM1 (0.53) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL29498320 0.86 GRM1 (0.53) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL13096687 0.85 GRM1 (0.55) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL30198712 0.85 GRM1 (0.55) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL31701242 0.85 GRM1 (0.55) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL64945 0.85 GRM1 (0.55) GRM1GRM5PDK4ATRCYP11B2
SCHEMBL24891678 0.84 GRM1 (0.52) GRM1GRM5PDK4CYP11B2WNT3A
SCHEMBL13521354 0.83 PDK4 (0.51) GRM1GRM5PDK4ATRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE C4 THERAPEUTICS, INC. 2024-08-29 US disclosed
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 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 (2 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 GRM1 2912/4885GRM5 3400/4885PDK4 153/4885
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN GRM1 4339/4885GRM5 4279/4885PDK4 3355/4885

“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.