SCHEMBL1800769

SCHEMBL1800769

CCC(CC)C(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.41
CCR5 P51681 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
USP7 Q93009 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL2934997 1.00 CXCR3 (0.41) CXCR3CCR5L3MBTL1GAAUSP7
Hydrochloric Acid SCHEMBL1800156 0.99 CCR5 (0.41) CXCR3CCR5L3MBTL1GAAUSP7
SCHEMBL2938955 0.94 CXCR3 (0.42) CXCR3CCR5L3MBTL1GAA
SCHEMBL2938951 0.94 CXCR3 (0.42) CXCR3CCR5L3MBTL1GAA
SCHEMBL1800476 0.94 CXCR3 (0.42) CXCR3CCR5L3MBTL1GAA
Hydrochloric Acid SCHEMBL1800981 0.94 CXCR3 (0.41) CXCR3CCR5L3MBTL1GAA
SCHEMBL2940902 0.93 CYP2D6 (0.41) CXCR3CCR5CYP2D6TSHRHDAC6
SCHEMBL1801540 0.93 CYP2D6 (0.41) CXCR3CCR5CYP2D6TSHRHDAC6
SCHEMBL2940899 0.93 CYP2D6 (0.41) CXCR3CCR5CYP2D6TSHRHDAC6
Hydrochloric Acid SCHEMBL1800899 0.92 CYP2D6 (0.41) CXCR3CCR5CYP2D6TSHRHDAC6

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 CXCR3 4786/4885CCR5 4456/4885L3MBTL1 4811/4885

“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.