SCHEMBL1650296

SCHEMBL1650296

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
ABAT P80404 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
OAT P04181 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
BUB1 O43683 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 0.92 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1650294 0.92 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872959 0.83
SCHEMBL2083101 0.83 ABAT (0.48) ABATMAPTKMT2AOATCYP1A2
SCHEMBL2079668 0.83 ABAT (0.48) ABATMAPTKMT2AOATCYP1A2
SCHEMBL6370539 0.81 BRD4 (0.44) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7472913 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1297377 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7472907 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17710064 0.79 CHRNB2 (0.54) 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 7 patents. 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-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
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
EP-2493304-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-09-05 EP disclosed
WO-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 WO disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 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-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D BRD4 3155/4885CHRNB2 3760/4885CHRNA4 3012/4885

“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.