SCHEMBL1800852

SCHEMBL1800852

Cc1nnsc1C(=O)N1CCC2(CC1)NC(C(C)C)C(=O)N2Cc1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM1A O60341 1/20 0.34
DRD4 P21917 2/20 0.34
CCR5 P51681 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK2 O60674 4/20 0.33
JAK3 P52333 4/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KLKB1 P03952 1/20 0.33
USP2 O75604 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL1802557 0.88 ATM (0.40) TSHRCYP3A4ALDH1A1CYP2D6CCR5
SCHEMBL1800603 0.83 KDM1A (0.38) CYP3A4ALDH1A1MAPK1KDM1ADRD4
SCHEMBL1798973 0.83 CYP2C19 (0.37) CYP3A4ALDH1A1CYP2D6MAPK1DRD4
SCHEMBL1801052 0.83 USP2 (0.43) TSHRCYP3A4ALDH1A1CYP2D6MAPK1
SCHEMBL1799690 0.82 CYP3A4 (0.38) TSHRCYP3A4ALDH1A1CYP2D6MAPK1
SCHEMBL5151460 0.82 CHRM3 (0.39) KDM1ADRD4CCR5KCNH2JAK2
SCHEMBL1800639 0.81 P2RX7 (0.40) CYP3A4CYP2D6KDM1AJAK2JAK3
SCHEMBL1801956 0.80 CCR5 (0.37) TSHRCYP3A4ALDH1A1CYP2D6MAPK1
SCHEMBL1800459 0.80 MAPK1 (0.49) TSHRCYP3A4ALDH1A1CYP2D6MAPK1
SCHEMBL1800985 0.80 GRIA3 (0.39) TSHRCYP3A4ALDH1A1CYP2D6MAPK1

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-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
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 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 TSHR 1666/4885CYP3A4 156/4885ALDH1A1 2780/4885

“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.