SCHEMBL1800639

SCHEMBL1800639

CC(C)C1NC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.40
MLNR O43193 1/20 0.36
AURKA O14965 2/20 0.36
KDM1A O60341 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM3 P20309 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
AURKB Q96GD4 1/20 0.34
FAAH O00519 1/20 0.34
PTGER4 P35408 1/20 0.34
ADRA1D P25100 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL1797577 0.92 AURKA (0.40) P2RX7MLNRAURKAKDM1AKMT2A
SCHEMBL5151460 0.89 CHRM3 (0.39) KDM1ACHRM3JAK2JAK1TYK2
SCHEMBL1800603 0.89 KDM1A (0.38) MLNRKDM1ACHRM3JAK2JAK1
SCHEMBL1802337 0.88 TACR1 (0.38) P2RX7MLNRCHRM3USP2CYP3A4
SCHEMBL1798375 0.86 KCNJ1 (0.37) KDM1AKMT2A
SCHEMBL1804457 0.85 TACR1 (0.36) KDM1ACHRM3FAAHPTGER4CYP3A4
SCHEMBL1801393 0.84 CYP3A4 (0.36) MLNRCHRM3ADRA1DUSP2CYP3A4
SCHEMBL1799690 0.84 CYP3A4 (0.38) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL1798973 0.83 CYP2C19 (0.37) CHRM3JAK2JAK1TYK2JAK3
SCHEMBL1801052 0.83 USP2 (0.43) KMT2AUSP2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 P2RX7 1172/4885MLNR 68/4885AURKA 4418/4885

“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.