SCHEMBL1801100

SCHEMBL1801100

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.39
TACR1 P25103 1/20 0.39
CCR5 P51681 4/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1801279 0.88 ALDH1A1 (0.39) TACR1CYP2D6KMT2AALDH1A1GAA
SCHEMBL1801039 0.87 CXCR3 (0.44) CXCR3TACR1CCR5CYP2D6KMT2A
SCHEMBL1797763 0.86 CYP2D6 (0.51) CXCR3CCR5CYP2D6KMT2AALDH1A1
SCHEMBL3926088 0.86 CXCR3 (0.41) CXCR3CCR5CYP2D6GAAHDAC1
Hydrochloric Acid SCHEMBL1799085 0.86 CXCR3 (0.43) CXCR3TACR1CCR5CYP2D6KMT2A
SCHEMBL1798600 0.85 NPC1 (0.48) KMT2AMEN1SMN1; SMN2TSHRPOLB
Hydrochloric Acid SCHEMBL1800654 0.85 CYP2D6 (0.50) CXCR3CCR5CYP2D6KMT2AALDH1A1
SCHEMBL1801457 0.85 OPRD1 (0.47) CXCR3TACR1CCR5GAAHDAC1
SCHEMBL3919286 0.85 OPRD1 (0.47) CXCR3TACR1CCR5GAAHDAC1
Hydrochloric Acid SCHEMBL1803080 0.84 NPC1 (0.47) KMT2AMEN1SMN1; SMN2TSHRPOLB

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 4786/4885TACR1 560/4885CCR5 4456/4885

“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.