SCHEMBL484476

SCHEMBL484476

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 18/20 0.69
ALDH1A1 P00352 16/20 0.69
HPGD P15428 10/20 0.69
TSHR P16473 10/20 0.65
CYP3A4 P08684 10/20 0.65
CYP2C9 P11712 10/20 0.65
CYP1A2 P05177 9/20 0.65
CYP2C19 P33261 8/20 0.65
MAPK1 P28482 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
CYP2D6 P10635 10/20 0.64
USP2 O75604 3/20 0.64
HIF1A Q16665 1/20 0.64
GRM1 Q13255 1/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL484881 0.82 MEN1 (0.66) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL484915 0.81 HSD17B10 (0.65) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL1459007 0.81 ALDH1A1 (0.68) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL29461422 0.77 GPR119 (0.66) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL29464870 0.77 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL14996524 0.77 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL22941868 0.76 HSD17B10 (0.69) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL30057640 0.76 ALDH1A1 (0.65) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL29461618 0.76 HSD17B10 (0.55) HSD17B10ALDH1A1HPGDTSHRCYP3A4
SCHEMBL21853959 0.76 PANK3 (0.48)

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 4072/4885ALDH1A1 2086/4885HPGD 386/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885HPGD 386/4885

“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.