SCHEMBL25518973

SCHEMBL25518973

CC(C)(C)NC(=O)OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
PTGIR P43119 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL17444434 0.93 CNR2 (0.36) CNR2PTGIRACACBACACAMEN1
SCHEMBL17444433 0.93 CNR2 (0.36) CNR2PTGIRACACBACACAMEN1
SCHEMBL25284961 0.92 MEN1 (0.42) CNR2PTGIRACACBACACAMEN1
SCHEMBL19267841 0.92 MEN1 (0.46) CNR2ACACBACACAMEN1MAPT
SCHEMBL1428636 0.88 CHRM3 (0.46) HDAC3HDAC1HDAC2CHRM2CHRM1
SCHEMBL3603129 0.83 GBA1 (0.33) ACACBACACAMEN1MAPTKMT2A
SCHEMBL1367746 0.83 HDAC1 (0.38) ACACBACACAMEN1MAPTKMT2A
SCHEMBL24700932 0.83 HDAC3 (0.38) ACACBACACAMEN1MAPTKMT2A
SCHEMBL25274161 0.82 CHRM3 (0.42) MEN1MAPTKMT2AATMHDAC3
Hydrochloric Acid SCHEMBL22291356 0.82 HDAC1 (0.38) ACACBACACAMEN1MAPTKMT2A

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
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN claimed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed
CN-104114553-A Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors REDDYS LAB LTD DR 2014-10-22 CN disclosed
CN-102762208-A Pyrazolopyrimidines and related heterocycles as ck2 inhibitors CYLENE PHARMACEUTICALS INC 2012-10-31 CN disclosed
CN-102625803-A Pharmaceutically useful heterocycle-substituted lactams CYLENE PHARMACEUTICALS INC 2012-08-01 CN disclosed
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN 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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM CNR2 4343/4885PTGIR 2666/4885ACACB 4205/4885

“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.