SCHEMBL1803133

SCHEMBL1803133

O=C(OCc1ccccc1)c1ccccc1C(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.37
CCR5 P51681 2/20 0.37
ATM Q13315 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
KDM1A O60341 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
SCHEMBL5151456 0.90 CYP2C9 (0.44) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL1797296 0.86 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL3923623 0.84 ATM (0.44) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL1801380 0.84 ALDH1A1 (0.42) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL1803348 0.83 GRM5 (0.43) RIPK1ALDH1A1ATMMEN1KMT2A
SCHEMBL1799713 0.82 RIPK1 (0.46) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL3918988 0.81 ATM (0.43) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL1800228 0.81 CYP2C9 (0.46) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1
SCHEMBL2939186 0.80 ATM (0.43) RIPK1ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL1802301 0.80 CYP2C9 (0.45) CYP2C9CYP2C19MAPK14RIPK1ALDH1A1

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 5 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
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 CYP2C9 429/4885CYP2C19 295/4885MAPK14 3136/4885

“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.