SCHEMBL2080796

SCHEMBL2080796

CCOC(=O)N(C)C1CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1562179 0.81 CA12 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2621302 0.79 SIGMAR1 (0.52) ALDH1A1TSHRSMN1; SMN2MAPTCHRM3
SCHEMBL24042812 0.79 MAPT (0.40) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL508534 0.77 HSD11B1 (0.40) LMNATSHRTP53SMN1; SMN2PDE10A
SCHEMBL22256857 0.77 TSHR (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL22256852 0.75 TSHR (0.47) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL22547160 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15KDM4EMEN1KMT2A
SCHEMBL9357964 0.74 TSHR (0.49) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL12548499 0.73 JAK3 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL12549046 0.73 JAK3 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA

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-7897611-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2011-03-01 US disclosed
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-07-15 US disclosed
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-06-17 US disclosed
EP-1678172-B1 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-12-09 EP disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
EP-1678172-A2 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2006-07-12 EP disclosed
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US disclosed
WO-2005037832-A2 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-04-28 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 (4 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-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders OPRL1, OPRK1, COMT ALDH1A1 530/4885USP2 3758/4885ALOX15 613/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ALDH1A1 530/4885USP2 3758/4885ALOX15 613/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ALDH1A1 530/4885USP2 3758/4885ALOX15 613/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ALDH1A1 530/4885USP2 3758/4885ALOX15 613/4885

“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.