SCHEMBL1799799

SCHEMBL1799799

COC(=O)c1ccc(CN2C(=O)C(C(C)C)NC23CCN(C(=O)c2cccnc2Cl)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
POLB P06746 3/20 0.40
PARP1 P09874 1/20 0.36
MDM2 Q00987 1/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHRM2 P08172 1/20 0.34
CCR5 P51681 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
SCHEMBL1803702 0.89 CYP2C19 (0.43) CYP2C19POLBPARP1LMNAALDH1A1
SCHEMBL1799853 0.83 OPRD1 (0.46) CYP2C19OPRD1OPRK1POLBPARP1
SCHEMBL1799198 0.79 LMNA (0.39) OPRD1OPRK1MDM2HTTNPC1
SCHEMBL3918951 0.79 LMNA (0.44) CYP2C19POLBMDM2HTTNPC1
SCHEMBL1798684 0.78 NAMPT (0.40) OPRD1OPRK1HTTNPC1LMNA
SCHEMBL3926266 0.77 MAPT (0.47) POLBMDM2HTTNPC1LMNA
SCHEMBL1800229 0.77 CYP2C19 (0.41) CYP2C19POLBPARP1MAPTCCR5
SCHEMBL1800776 0.77 GPR183 (0.42) OPRD1OPRK1HTTNPC1LMNA
SCHEMBL3928978 0.77 LMNA (0.41) CYP2C19POLBHTTNPC1LMNA
SCHEMBL3915520 0.77 HRH3 (0.48) MDM2HTTNPC1LMNARAB9A

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-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
US-20070015784-A1 Subsitituted 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CYP2C19 295/4885OPRD1 476/4885OPRK1 310/4885

“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.