SCHEMBL3917607

SCHEMBL3917607

O=C1C(Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
CYP2D6 P10635 5/20 0.43
USP2 O75604 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 4/20 0.40
NAMPT P43490 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 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
SCHEMBL3919260 0.94 SMN1; SMN2 (0.41) ATMPKMCYP2D6SMN1; SMN2TSHR
SCHEMBL3925883 0.91 CXCR3 (0.39) ATMPKMCYP2D6USP2SMN1; SMN2
SCHEMBL3917724 0.89 CYP2D6 (0.51) CYP2D6USP2SMN1; SMN2TSHRGAA
SCHEMBL3915518 0.87 KMT2A (0.44) ATMPKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL3919262 0.87 ALDH1A1 (0.40) ATMPKMUSP2SMN1; SMN2TSHR
SCHEMBL3918156 0.86 ATM (0.39) ATMPKMSMN1; SMN2GAAHTT
SCHEMBL3920599 0.85 PKM (0.42) PKMCYP2D6USP2SMN1; SMN2TSHR
SCHEMBL3923623 0.83 ATM (0.44) ATMCYP2D6HTTALDH1A1LMNA
SCHEMBL3919576 0.83 MMP2 (0.51) CYP2D6USP2SMN1; SMN2TSHRGAA
SCHEMBL3925408 0.82 SMN1; SMN2 (0.48) PKMCYP2D6USP2SMN1; SMN2TSHR

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 10 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
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO 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
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 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 (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 ATM 3799/4885PKM 1588/4885CYP2D6 56/4885

“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.