SCHEMBL669842

SCHEMBL669842

CC(C)(C)N1CCC(F)(CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL15715988 0.92 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL1292476 0.82 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20063338 0.80
SCHEMBL22098696 0.78 GRIN2D (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL29317676 0.78 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458814 0.78 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15716234 0.77 CRHBP (0.33)
SCHEMBL12026500 0.76 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10205046 0.76 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL14593651 0.75 KCNH2 (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039901-A2 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-02-22 WO disclosed
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
WO-2017132474-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2017-08-03 WO disclosed
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 WO disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 GRIN2D 1405/4885GRIN3B 1371/4885CHRM2 4549/4885

“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.