SCHEMBL5848840

SCHEMBL5848840

C=CC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
PDE8B O95263 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 2/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5851050 1.00 HSD17B10 (0.45) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL5849346 1.00 HSD17B10 (0.45) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL25867303 0.96 PDE8B (0.47) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL15481738 0.91 HSD17B10 (0.38) HSD17B10PDE8BSMN1; SMN2ALDH1A1ATM
SCHEMBL1516388 0.87 HSD17B10 (0.46) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL115847 0.87 HSD17B10 (0.46) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL28196934 0.87 HSD17B10 (0.46) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL16004564 0.86 ATM (0.43) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL31716035 0.83 HSD17B10 (0.41) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR
SCHEMBL31716660 0.83 HSD17B10 (0.41) HSD17B10PDE8BSMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
EP-4247817-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-09-27 EP disclosed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2023-03-30 US disclosed
WO-2022109573-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-27 WO disclosed
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020160998-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-10-31 US disclosed
EP-1225955-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-07-31 EP disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US disclosed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 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 (5 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 HSD17B10 624/4885PDE8B 695/4885SMN1; SMN2 4604/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 HSD17B10 624/4885PDE8B 695/4885SMN1; SMN2 4604/4885
US-20020160998-A1 Pharmaceutical compositions and methods for use AADAC, CYP3A7, CYP3A5 HSD17B10 483/4885PDE8B 449/4885SMN1; SMN2 4695/4885
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B HSD17B10 2742/4885PDE8B 1095/4885SMN1; SMN2 4797/4885
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HSD17B10 2742/4885PDE8B 1095/4885SMN1; SMN2 4797/4885

“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.