SCHEMBL1801039

SCHEMBL1801039

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.44
POLB P06746 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CCR5 P51681 5/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TACR1 P25103 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
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
Hydrochloric Acid SCHEMBL1799085 0.99 CXCR3 (0.43) CXCR3POLBOPRM1OPRL1CCR5
SCHEMBL1798600 0.91 NPC1 (0.48) POLBKMT2AMEN1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1803080 0.90 NPC1 (0.47) POLBKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL1797763 0.87 CYP2D6 (0.51) CXCR3OPRM1OPRL1CCR5CYP2D6
SCHEMBL3926088 0.87 CXCR3 (0.41) CXCR3POLBCCR5CYP2D6GAA
SCHEMBL1801100 0.87 CXCR3 (0.39) CXCR3POLBCCR5CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL1800654 0.86 CYP2D6 (0.50) CXCR3OPRM1OPRL1CCR5CYP2D6
SCHEMBL1796736 0.85 RAB9A (0.49) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL2934783 0.85 CCR5 (0.40) CXCR3CCR5ALDH1A1KMT2AMEN1
SCHEMBL2934997 0.84 CXCR3 (0.41) CXCR3CCR5CYP2D6ALDH1A1GAA

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 4786/4885POLB 2915/4885OPRM1 358/4885

“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.