SCHEMBL1650754

SCHEMBL1650754

C=CCC1(C(=O)OC)CC(C(=O)O)CC2(C1)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1650753 0.90 MMP2 (0.30)
SCHEMBL1653729 0.89 CYP2C9 (0.32) CYP2C9CYP2C19
SCHEMBL1651605 0.81 APLNR (0.32) CYP2C19
SCHEMBL1653725 0.79 MMP2 (0.31) CYP2C9CYP2C19
SCHEMBL1653728 0.79 MMP2 (0.31) CYP2C9CYP2C19
SCHEMBL6929617 0.79 MMP2 (0.31) CYP2C9CYP2C19
SCHEMBL2633836 0.73 RORC (0.33) CYP2C19
SCHEMBL1651040 0.72 ICMT (0.32) CYP2C9CYP2C19
SCHEMBL1651602 0.70
SCHEMBL25568372 0.69 CYP4F2 (0.33) CYP2C19

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 CYP2C9 158/4885CYP2C19 257/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D CYP2C9 158/4885CYP2C19 257/4885

“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.