SCHEMBL1650265

SCHEMBL1650265

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL1297377 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7472907 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7472913 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1297896 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17710064 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2670823 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6371293 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1650264 0.91 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL398332 0.89
SCHEMBL398511 0.89

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-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
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 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 (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-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists CHRNA1, CHRNA7, CHRNB1 CHRNB2 9/4885CHRNA4 12/4885CHRNB4 16/4885
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D CHRNB2 3760/4885CHRNA4 3012/4885CHRNB4 3694/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D CHRNB2 3760/4885CHRNA4 3012/4885CHRNB4 3694/4885

“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.