SCHEMBL3920599

SCHEMBL3920599

O=C1C(Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CXCR3 P49682 1/20 0.39
POLB P06746 2/20 0.39
CCR5 P51681 4/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3917724 0.87 CYP2D6 (0.51) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL3917607 0.85 ATM (0.44) PKMALDH1A1KMT2AMEN1GAA
SCHEMBL3915518 0.84 KMT2A (0.44) PKMALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3915497 0.84 CYP2D6 (0.50) ALDH1A1KMT2AMEN1CXCR3POLB
SCHEMBL3919576 0.84 MMP2 (0.51) ALDH1A1KMT2AMEN1CXCR3POLB
SCHEMBL3925408 0.83 SMN1; SMN2 (0.48) PKMALDH1A1KMT2AMEN1GAA
SCHEMBL3920922 0.82 PKM (0.45) PKMALDH1A1CXCR3CCR5GAA
SCHEMBL3915453 0.82 HSD11B1 (0.48) ALDH1A1KMT2AMEN1CXCR3GAA
SCHEMBL3926286 0.82 ALDH1A1 (0.55) PKMALDH1A1KMT2AMEN1POLB
SCHEMBL3919260 0.81 SMN1; SMN2 (0.41) PKMALDH1A1KMT2AMEN1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US 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 (1 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 PKM 1588/4885ALDH1A1 199/4885KMT2A 4051/4885

“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.