SCHEMBL12528533

SCHEMBL12528533

CC[C@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.47
ATM Q13315 2/20 0.47
KDM1A O60341 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL378749 1.00 PDE8B (0.47) PDE8BATMKDM1AHSD17B10MAPT
SCHEMBL25936315 1.00 PDE8B (0.47) PDE8BATMKDM1AHSD17B10MAPT
SCHEMBL3576321 0.95 HSD17B10 (0.49) PDE8BATMHSD17B10MAPTALDH1A1
SCHEMBL6899788 0.95 HSD17B10 (0.49) PDE8BATMHSD17B10MAPTALDH1A1
SCHEMBL1467517 0.95 HSD17B10 (0.49) PDE8BATMHSD17B10MAPTALDH1A1
Formic Acid SCHEMBL30817776 0.94 PDE8B (0.44) PDE8BATMKDM1AHSD17B10MAPT
SCHEMBL24121385 0.88 ATM (0.42) ATMHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19158003 0.88 ATM (0.42) ATMHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL2687901 0.88 ATM (0.60) PDE8BATMKDM1AHSD17B10ALDH1A1
SCHEMBL20828126 0.88 ATM (0.60) PDE8BATMKDM1AHSD17B10ALDH1A1

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-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 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-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 PDE8B 2147/4885ATM 2902/4885KDM1A 91/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 PDE8B 3229/4885ATM 467/4885KDM1A 148/4885

“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.