SCHEMBL4035366

SCHEMBL4035366

CSCCC1NC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
LMNA P02545 2/20 0.42
EPHX2 P34913 1/20 0.40
ERN1 O75460 1/20 0.38
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ESR2 Q92731 1/20 0.36
P2RY12 Q9H244 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
CSNK1E P49674 1/20 0.35
GPR183 P32249 1/20 0.35

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
SCHEMBL4037860 0.88 TSHR (0.38) HRH3LMNAEPHX2ESR1NR3C1
SCHEMBL3914999 0.87 HRH3 (0.44) HRH3LMNAEPHX2ERN1P2RY12
SCHEMBL3926877 0.85 HRH3 (0.39) HRH3LMNAEPHX2ERN1P2RY12
SCHEMBL3914887 0.83 ALDH1A1 (0.44) HRH3PKMHTTMEN1KMT2A
SCHEMBL3926300 0.83 MEN1 (0.45) LMNAEPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL3927067 0.83 GAA (0.37) HTTKMT2A
SCHEMBL3919512 0.80 GAA (0.39) KMT2AALDH1A1
SCHEMBL4040751 0.79 HTT (0.38) HRH3LMNASMN1; SMN2HTT
SCHEMBL3927494 0.78 HTR2A (0.38) LMNASMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL4042121 0.78 GAA (0.36) HTTKMT2AALDH1A1

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-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
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 HRH3 3686/4885LMNA 1640/4885EPHX2 4355/4885

“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.