SCHEMBL5848851

SCHEMBL5848851

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
UCHL1 P09936 2/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL19958804 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3612674 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3604748 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3592625 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3612669 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL2688839 0.95 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL2688835 0.95 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL15356409 0.88 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL7851601 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL22036328 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 624/4885SMN1; SMN2 4604/4885NPC1 233/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 HSD17B10 624/4885SMN1; SMN2 4604/4885NPC1 233/4885
US-20020160998-A1 Pharmaceutical compositions and methods for use AADAC, CYP3A7, CYP3A5 HSD17B10 483/4885SMN1; SMN2 4695/4885NPC1 273/4885

“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.