SCHEMBL485392

SCHEMBL485392

COc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.54
CYP3A4 P08684 11/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
USP2 O75604 5/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 4/20 0.52
CYP1A2 P05177 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CYP2C9 P11712 7/20 0.50
MAPK1 P28482 5/20 0.50
HIF1A Q16665 4/20 0.50
CYP2C19 P33261 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL23411518 0.93 CYP3A4 (0.55) CYP11B2CYP3A4ALDH1A1SMN1; SMN2USP2
SCHEMBL485607 0.86 HDAC2 (0.58) CYP11B2CYP3A4ALDH1A1MAPTLMNA
SCHEMBL30769248 0.86 CYP11B2 (0.55) CYP11B2CYP3A4ALDH1A1MAPTLMNA
SCHEMBL484886 0.86 CYP11B2 (0.55) CYP11B2CYP3A4ALDH1A1SMN1; SMN2USP2
SCHEMBL485220 0.84 CYP11B2 (0.53) CYP11B2CYP3A4ALDH1A1MAPTLMNA
SCHEMBL484102 0.84 HIF1A (0.63) CYP11B2CYP3A4ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL484627 0.83 CYP11B2 (0.53) CYP11B2CYP3A4ALDH1A1USP2MAPT
SCHEMBL485229 0.83 CYP3A4 (0.63) CYP3A4ALDH1A1SMN1; SMN2USP2CYP2D6
SCHEMBL1458624 0.83 L3MBTL1 (0.73) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL29680690 0.83 CYP11B2 (0.50) CYP11B2CYP3A4ALDH1A1SMN1; SMN2USP2

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 CYP11B2 2150/4885CYP3A4 3781/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885CYP3A4 3781/4885ALDH1A1 2086/4885

“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.