SCHEMBL484915

SCHEMBL484915

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccccn3)CC2)C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 17/20 0.65
TSHR P16473 10/20 0.65
CYP2D6 P10635 9/20 0.65
CYP2C19 P33261 7/20 0.65
CYP3A4 P08684 6/20 0.65
GPR119 Q8TDV5 1/20 0.65
ALDH1A1 P00352 15/20 0.62
HPGD P15428 11/20 0.62
CYP2C9 P11712 8/20 0.61
CYP1A2 P05177 7/20 0.61
CYP11B2 P19099 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
MAPK1 P28482 4/20 0.60
HIF1A Q16665 2/20 0.58
USP2 O75604 2/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GRM1 Q13255 1/20 0.53

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
SCHEMBL29461446 0.94 HSD17B10 (0.69) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL29461422 0.94 GPR119 (0.66) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL22941868 0.93 HSD17B10 (0.69) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL29461577 0.93 HSD17B10 (0.76) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL29461735 0.89 HSD17B10 (0.76) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL27031056 0.87 GPR119 (0.65) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL485352 0.85 CYP3A4 (0.62) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL30516861 0.84 GPR119 (0.79) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL1459701 0.84 GPR119 (0.79) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL22137535 0.82 CYP11B2 (0.56) GPR119CYP11B2

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 HSD17B10 4072/4885TSHR 338/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885TSHR 338/4885CYP2D6 1926/4885

“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.