SCHEMBL1800751

SCHEMBL1800751

O=C(c1ccco1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.55
ALDH1A1 P00352 9/20 0.55
CYP2D6 P10635 7/20 0.55
CHRM2 P08172 1/20 0.55
USP2 O75604 9/20 0.51
CYP1A2 P05177 5/20 0.48
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.45
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4006029 1.00 CYP3A4 (0.55) CYP3A4ALDH1A1CYP2D6CHRM2USP2
Hydrochloric Acid SCHEMBL1802546 0.99 CYP3A4 (0.54) CYP3A4ALDH1A1CYP2D6CHRM2USP2
SCHEMBL1800925 0.88 ALDH1A1 (0.47) CYP3A4ALDH1A1CYP2D6CHRM2USP2
SCHEMBL1800591 0.88 CYP1A2 (0.47) CYP3A4ALDH1A1CYP2D6CHRM2USP2
SCHEMBL3926088 0.86 CXCR3 (0.41) CYP2D6CHRM2
SCHEMBL1805280 0.84 ALDH1A1 (0.53) CYP3A4ALDH1A1CYP2D6CHRM2USP2
SCHEMBL1797763 0.84 CYP2D6 (0.51) CYP3A4ALDH1A1CYP2D6USP2CYP2C19
SCHEMBL2937853 0.84 RIPK1 (0.47) CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19
SCHEMBL1801302 0.84 RIPK1 (0.47) CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19
SCHEMBL4000263 0.84 RIPK1 (0.47) CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19

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 CYP3A4 156/4885ALDH1A1 2780/4885CYP2D6 731/4885

“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.