SCHEMBL1799346

SCHEMBL1799346

CSCCC1NC2(CCN(C(=O)c3c(Cl)ccc(C)c3F)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 1/20 0.36
CCR5 P51681 9/20 0.34
CYP2C9 P11712 1/20 0.34
RIPK1 Q13546 1/20 0.33
AVPR1A P37288 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL2940213 0.83 RIPK1 (0.42) GAAKMT2ARIPK1CYP2D6CYP2C19
SCHEMBL1801114 0.83 RIPK1 (0.42) GAAKMT2ARIPK1CYP2D6CYP2C19
SCHEMBL3918968 0.82 GAA (0.46) GAAKMT2ACCR5RIPK1CYP2D6
Hydrochloric Acid SCHEMBL1803401 0.82 RIPK1 (0.42) GAAKMT2ARIPK1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5668419 0.82 RIPK1 (0.42) GAAKMT2ARIPK1CYP2D6CYP2C19
SCHEMBL3925963 0.80 GAA (0.47) GAAKMT2ACCR5RIPK1CYP2D6
SCHEMBL1802871 0.80 CCR5 (0.37) TACR1CCR5CYP2C9AVPR1AKCNH2
SCHEMBL1803866 0.79 AURKA (0.37) TACR1
SCHEMBL1802777 0.79
SCHEMBL3927067 0.78 GAA (0.37) GAAKMT2ACCR5

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 6 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

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 GAA 143/4885KMT2A 4267/4885TACR1 560/4885

“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.