SCHEMBL1800087

SCHEMBL1800087

Cc1nnsc1C(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.36
RIPK1 Q13546 1/20 0.36
ATM Q13315 1/20 0.36
CXCR3 P49682 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR5 P51681 3/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
CHRM2 P08172 2/20 0.34
TSHR P16473 2/20 0.34
CHRM3 P20309 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1800407 0.90 L3MBTL1 (0.37) CYP2D6L3MBTL1CYP2C9ATMMAPT
SCHEMBL1800826 0.90 CCR5 (0.39) L3MBTL1ATMCXCR3MAPTCCR5
SCHEMBL1802557 0.87 ATM (0.40) CYP2D6L3MBTL1CYP2C9RIPK1ATM
SCHEMBL1801944 0.82 CYP2D6 (0.40) CYP2D6L3MBTL1CYP2C9RIPK1ATM
SCHEMBL1799807 0.81 ALDH1A1 (0.39) CYP2D6L3MBTL1CYP2C9RIPK1CXCR3
SCHEMBL1797763 0.81 CYP2D6 (0.51) CYP2D6RIPK1CXCR3ALDH1A1CCR5
SCHEMBL3926088 0.80 CXCR3 (0.41) CYP2D6L3MBTL1RIPK1CXCR3CCR5
Hydrochloric Acid SCHEMBL1800654 0.80 CYP2D6 (0.50) CYP2D6RIPK1CXCR3ALDH1A1CCR5
SCHEMBL2937853 0.78 RIPK1 (0.47) CYP2D6RIPK1CXCR3ALDH1A1CHRM2
SCHEMBL4006029 0.78 CYP3A4 (0.55) CYP2D6CYP2C9ALDH1A1CHRM2TSHR

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 CYP2D6 731/4885L3MBTL1 4811/4885CYP2C9 429/4885

“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.