SCHEMBL1800737

SCHEMBL1800737

N#Cc1cccc(CN2C(=O)CNC23CCN(C(=O)c2ccc(I)cc2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.41
USP2 O75604 7/20 0.41
ALDH1A1 P00352 6/20 0.41
TSHR P16473 5/20 0.41
CYP1A2 P05177 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.41
FAAH O00519 1/20 0.40
CYP2C9 P11712 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RIPK1 Q13546 1/20 0.39
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL1802856 0.85 USP2 (0.54) CYP3A4USP2ALDH1A1TSHRCYP1A2
SCHEMBL1800539 0.84 ALDH1A1 (0.45) CYP3A4USP2ALDH1A1TSHRCYP1A2
SCHEMBL1800466 0.83 ALDH1A1 (0.49) CYP3A4USP2ALDH1A1TSHRCYP1A2
SCHEMBL1806773 0.82 AVPR1A (0.52) ALDH1A1FAAH
SCHEMBL1799690 0.81 CYP3A4 (0.38) CYP3A4USP2ALDH1A1TSHRCYP1A2
SCHEMBL1803002 0.81 CYP2C19 (0.44) CYP3A4USP2ALDH1A1CYP1A2CYP2D6
SCHEMBL1798378 0.80 FAAH (0.40) MAPK1FAAHCHRM3
SCHEMBL1801385 0.77 RIPK1 (0.52) CYP3A4ALDH1A1TSHRMAPK1CYP2D6
SCHEMBL3917731 0.73 ALDH1A1 (0.39) CYP3A4USP2ALDH1A1TSHRMAPK1
SCHEMBL3916416 0.72 KEAP1 (0.43) CYP3A4USP2ALDH1A1MAPK1SMN1; SMN2

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 156/4885USP2 1295/4885ALDH1A1 2780/4885

“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.