SCHEMBL1802003

SCHEMBL1802003

O=C(c1ccc(Cl)nc1)N1CCC2(CC1)NCC(=O)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
PRKAA2 P54646 3/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
RIPK1 Q13546 1/20 0.45
CHRM2 P08172 3/20 0.44
CHRM3 P20309 1/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1801385 0.84 RIPK1 (0.52) HPGDRIPK1CHRM2CHRM3CYP2D6
SCHEMBL5174941 0.80 IP6K1 (0.38) RIPK1CHRM2CHRM3CYP2D6TSHR
SCHEMBL24106950 0.78 OPRD1 (0.46) RIPK1CHRM2CHRM3CYP2D6TSHR
SCHEMBL5155488 0.77 POLB (0.41) SMN1; SMN2RIPK1CHRM2CYP2D6TSHR
SCHEMBL1801939 0.76 OPRD1 (0.47) RAB9ACYP2D6TSHRCYP3A4
SCHEMBL5152604 0.76 HDAC1 (0.45) SMN1; SMN2HPGDL3MBTL1
SCHEMBL1803812 0.76 SMN1; SMN2 (0.46) SMN1; SMN2MMP2MMP9PRKAA2PRKAB2
SCHEMBL1801195 0.75 RIPK1 (0.47) SMN1; SMN2HPGDRIPK1CYP2D6TSHR
SCHEMBL24106959 0.74 RIPK1 (0.39) RIPK1CHRM2CHRM3CYP2D6TSHR
SCHEMBL15423926 0.74 FAAH (0.56) CYP2D6CYP3A4CYP2C19

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 11 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
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 SMN1; SMN2 2139/4885MMP2 1705/4885MMP9 3380/4885

“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.