SCHEMBL485185

SCHEMBL485185

O=C(O)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 4/20 0.43
FFAR4 Q5NUL3 1/20 0.42
LCAT P04180 2/20 0.41
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL485186 0.85 CYP11B2 (0.53) RIPK1TSHRHSD17B10CYP2D6CYP3A4
SCHEMBL30328382 0.80 EIF2AK4 (0.51) TSHRALDH1A1HSD17B10HPGDMAPK1
SCHEMBL14996520 0.80 ALDH1A1 (0.43) RIPK1TSHRFFAR4LCATHRH4
Trifluoroacetic Acid SCHEMBL2816008 0.78 HRH4 (0.49) RIPK1SMN1; SMN2TSHRFFAR4LCAT
SCHEMBL13131059 0.78 HRH3 (0.40) RIPK1TSHRFFAR4LCATHRH4
SCHEMBL30328058 0.78 EIF2AK4 (0.53) SMN1; SMN2TSHRALDH1A1HSD17B10HPGD
SCHEMBL13168259 0.77 HRH3 (0.40) RIPK1TSHRFFAR4LCATHRH4
SCHEMBL485221 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRALDH1A1HPGDCYP1A2
SCHEMBL30328948 0.77 ALDH1A1 (0.48) SMN1; SMN2TSHRHRH4HRH3ALDH1A1
SCHEMBL484906 0.76 CYP3A4 (0.50) SMN1; SMN2TSHRALDH1A1HSD17B10HPGD

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 RIPK1 1158/4885SMN1; SMN2 3545/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN RIPK1 1158/4885SMN1; SMN2 3545/4885TSHR 338/4885

“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.