SCHEMBL3914901

SCHEMBL3914901

CC(C)CC1NC2(CCN(S(=O)(=O)c3cc(Cl)c(Cl)s3)CC2)N(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.35
EPHX2 P34913 1/20 0.35
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTR6 P50406 1/20 0.31
SPR P35270 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3917022 0.74 RAB9A (0.40) CCR5GAAPKM
SCHEMBL1800844 0.74 HTT (0.39) GAA
SCHEMBL3920861 0.74 CCR5 (0.46) CCR5EPHX2GAAPKM
SCHEMBL1803452 0.72 NPC1 (0.52) USP2CYP3A4CYP2D6CYP2C9
SCHEMBL1803334 0.72 LMNA (0.42) CCR5PKM
SCHEMBL3006559 0.72 CCR5 (0.35) CCR5
SCHEMBL1803026 0.72 CYP3A4 (0.43) GAACYP3A4CYP2C9
SCHEMBL1801647 0.71 RAB9A (0.41) CCR5
SCHEMBL1802019 0.71 MGLL (0.39) CCR5USP2CYP3A4CYP2D6CYP2C9
SCHEMBL1804306 0.71 HPGD (0.43) GAACYP3A4CYP2D6CYP2C9

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 CCR5 2852/4885EPHX2 4355/4885LPAR1 2305/4885

“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.