SCHEMBL485328

SCHEMBL485328

CCOC(=O)CC1(CC(=O)OCC)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
NPFFR1 Q9GZQ6 1/20 0.49
NPFFR2 Q9Y5X5 1/20 0.49

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
SCHEMBL2206046 0.95 SIGMAR1 (0.59) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL13398822 0.87 SIGMAR1 (0.54) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL18132040 0.84 KDM4E (0.51) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL4123527 0.84 SIGMAR1 (0.58) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL484761 0.83 NPFFR1 (0.53) SIGMAR1CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL13202558 0.82 SIGMAR1 (0.50) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL7012242 0.81 LMNA (0.67) CYP2D6CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13688322 0.81 SIGMAR1 (0.49) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL31252092 0.79 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9228863 0.79 SIGMAR1 (0.53) SIGMAR1CYP2D6CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN SIGMAR1 572/4885CYP2D6 1926/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SIGMAR1 572/4885CYP2D6 1926/4885CYP3A4 3781/4885

“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.