SCHEMBL485060

SCHEMBL485060

c1ccc(N2CCC3(CCNC3)CC2)nc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.83
ALDH1A1 P00352 11/20 0.83
CYP2D6 P10635 9/20 0.83
CYP3A4 P08684 8/20 0.83
TSHR P16473 8/20 0.83
HPGD P15428 6/20 0.83
CYP2C19 P33261 6/20 0.83
SMN1; SMN2 Q16637 5/20 0.83
CYP2C9 P11712 4/20 0.83
USP2 O75604 4/20 0.83
MAPK1 P28482 4/20 0.83
MEN1 O00255 1/20 0.83
KMT2A Q03164 1/20 0.83
CYP1A2 P05177 6/20 0.66
PLD1 Q13393 1/20 0.61
CYP11B1 P15538 1/20 0.51
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL29783049 0.91 ALDH1A1 (0.85) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL13050537 0.91 HSD17B10 (1.00) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL485095 0.81 CYP2D6 (0.81) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL29400889 0.77 PLD1 (1.00) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL7900 0.77 PLD1 (1.00) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL893565 0.77 PLD1 (1.00) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL29782931 0.77 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL13811463 0.77 HDAC1 (0.51) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL14996516 0.76 HSD17B10 (0.69) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL27246564 0.76 ALDH1A1 (0.71) HSD17B10ALDH1A1CYP2D6CYP3A4TSHR

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 12 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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
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 2086/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885CYP2D6 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.