SCHEMBL6928654

SCHEMBL6928654

COC(=O)C1CC(OCc2ccc(OC)cc2)CC(CC=O)(C(=O)OC)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
ADAM17 P78536 2/20 0.34
KCNH2 Q12809 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MIF P14174 1/20 0.33
CACNA1B Q00975 1/20 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
SCHEMBL6928659 0.91 NAAA (0.36) NAAACDK5CDK5R1P2RX7ALDH1A1
SCHEMBL6928220 0.77 CDK5 (0.48) NAAACDK5CDK5R1ALDH1A1HTT
SCHEMBL6928394 0.76 ADAM17 (0.36) CDK5CDK5R1ALDH1A1HTTADAM17
SCHEMBL6934895 0.72 CHRNB2 (0.32)
SCHEMBL16686234 0.69 HTT (0.45) P2RX7ALDH1A1MEN1KMT2ALMNA
SCHEMBL6926870 0.69 NPC1 (0.37) CDK5CDK5R1ALDH1A1KMT2AHTT
SCHEMBL16686018 0.68 GAA (0.46) NAAAALDH1A1MEN1KMT2ANPC1
SCHEMBL24036212 0.67 CYP4F2 (0.33)
SCHEMBL16685531 0.67 NAAA (0.49) NAAAALDH1A1HTTNPC1RAB9A
SCHEMBL27043955 0.67 ALDH1A1 (0.36) NAAAP2RX7ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D NAAA 3677/4885CDK5 2877/4885CDK5R1 1120/4885

“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.