SCHEMBL1650294

SCHEMBL1650294

COC(=O)C1CC(=O)CC(C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL2670790 1.00 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1650296 0.92 BRD4 (0.44) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872959 0.91
SCHEMBL6370539 0.88 BRD4 (0.44) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31072091 0.83 BRD4 (0.41) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24035543 0.83 CHRNB2 (0.57) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL536252 0.82 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24483517 0.81 CHRNB2 (0.58) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24483210 0.81 CHRNB2 (0.58) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12265855 0.80 CHRNB2 (0.62) BRD4CHRNB2CHRNA4CHRNB4CHRNA3

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 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
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
US-4424258-A Self-crimping multi-component polyester filament wherein the components contain differing amounts of polyolefin MONSANTO COMPANY (US) 1984-01-03 US disclosed
US-4086751-A POLYESTER FILAMENTS TEIJIN LIMITED (JA) 1978-05-02 US disclosed
US-4044541-A Process for producing textured polyester multifilament yarn TEIJIN LIMITED (JA) 1977-08-30 US disclosed
US-3977175-A DRAW-TEXTURING POLYESTER YARNS TEIJIN LIMITED (JA) 1976-08-31 US disclosed
US-3969462-A Polyester yarn production FIBER INDUSTRIES, INC. (US) 1976-07-13 US 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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D BRD4 3155/4885CHRNB2 3760/4885CHRNA4 3012/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT BRD4 4292/4885CHRNB2 25/4885CHRNA4 68/4885

“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.