SCHEMBL1799807

SCHEMBL1799807

O=C(c1sccc1Cl)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
OPRM1 P35372 1/20 0.39
RIPK1 Q13546 1/20 0.38
CXCR3 P49682 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR5 P51681 2/20 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
SCHEMBL1799814 0.89 CCR5 (0.46) ALDH1A1OPRM1RIPK1HTR1AHTT
SCHEMBL3926088 0.83 CXCR3 (0.41) RIPK1CXCR3CHRM2CHRM3L3MBTL1
SCHEMBL4000263 0.82 RIPK1 (0.47) ALDH1A1RIPK1CXCR3CYP2C19CHRM2
SCHEMBL1801302 0.82 RIPK1 (0.47) ALDH1A1RIPK1CXCR3CYP2C19CHRM2
SCHEMBL2937853 0.82 RIPK1 (0.47) ALDH1A1RIPK1CXCR3CYP2C19CHRM2
Hydrochloric Acid SCHEMBL1800383 0.82 RIPK1 (0.47) ALDH1A1RIPK1CXCR3CYP2C19CHRM2
SCHEMBL1800087 0.81 CYP2D6 (0.38) ALDH1A1RIPK1CXCR3CYP2C19CYP2C9
SCHEMBL1797763 0.81 CYP2D6 (0.51) ALDH1A1OPRM1RIPK1CXCR3CYP2C19
SCHEMBL1800751 0.81 CYP3A4 (0.55) ALDH1A1CYP2C19CYP2C9CHRM2SMN1; SMN2
SCHEMBL4006029 0.81 CYP3A4 (0.55) ALDH1A1CYP2C19CYP2C9CHRM2SMN1; SMN2

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 8 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
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 ALDH1A1 2780/4885OPRM1 358/4885RIPK1 3818/4885

“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.