SCHEMBL1798375

SCHEMBL1798375

CC(C)C1NC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 8/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SLC6A9 P48067 2/20 0.34
SLC6A5 Q9Y345 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL1800639 0.86 P2RX7 (0.40) KMT2AKDM1A
SCHEMBL1797577 0.84 AURKA (0.40) ALDH1A1KMT2AKDM1A
SCHEMBL5151460 0.83 CHRM3 (0.39) KCNH2HTTKDM1A
SCHEMBL1800603 0.83 KDM1A (0.38) KCNH2ALDH1A1POLBKDM1A
SCHEMBL3927342 0.82 KCNJ1 (0.42) KCNJ1KCNH2LMNASMN1; SMN2HTT
SCHEMBL1802337 0.81 TACR1 (0.38) KCNH2SMN1; SMN2ALDH1A1
SCHEMBL1801052 0.81 USP2 (0.43) KCNH2SMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL1799690 0.80 CYP3A4 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL1798973 0.79 CYP2C19 (0.37) ALDH1A1
SCHEMBL1804457 0.79 TACR1 (0.36) KCNH2ALDH1A1L3MBTL1KDM1A

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 12 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
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO 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
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO 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 KCNJ1 3529/4885KCNH2 4107/4885LMNA 3374/4885

“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.