SCHEMBL484575

SCHEMBL484575

O=C(O)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.52
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 4/20 0.48
CYP2D6 P10635 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 11/20 0.47
TSHR P16473 5/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL485221 0.84 SMN1; SMN2 (0.54) CYP2C9CYP2C19TSHRCYP1A2SMN1; SMN2
SCHEMBL484867 0.83 CYP11B2 (0.54) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL27233726 0.82 IDO1 (0.51) SMN1; SMN2CHRM2CHRM1PARP1
SCHEMBL26125332 0.81 KCNH2 (0.46) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL484881 0.80 MEN1 (0.66) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL14996529 0.79 CYP3A4 (0.43) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL484535 0.78 CYP3A4 (0.55) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL30328302 0.78 CYP11B2 (0.49) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL30286314 0.78 PARP1 (0.44) USP2CYP2C9CYP2C19CYP2D6HSD17B10
SCHEMBL26126743 0.77 KDM4E (0.49) SMN1; SMN2CHRM2CHRM1PARP1

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 USP2 4864/4885CYP2C9 2259/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP2C9 2259/4885CYP2C19 2325/4885

“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.