SCHEMBL1804573

SCHEMBL1804573

Cc1ccc(F)c(C(=O)N2CCC3(CC2)NCC(=O)N3Cc2ccccc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.40
OPRD1 P41143 1/20 0.39
CYP2C9 P11712 1/20 0.39
RIPK1 Q13546 1/20 0.39
AVPR1A P37288 1/20 0.38
RECQL P46063 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
EPHX2 P34913 2/20 0.36
CYP3A4 P08684 1/20 0.36
TACR1 P25103 1/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL1804135 0.77 RIPK1 (0.46) CYP2D6MAPK1TSHRRIPK1TACR1
SCHEMBL24106950 0.76 OPRD1 (0.46) CYP2D6MAPK1TSHROPRD1RIPK1
SCHEMBL1801385 0.75 RIPK1 (0.52) CYP2D6MAPK1TSHRRIPK1RECQL
SCHEMBL1800533 0.74 ALDH1A1 (0.47) CYP2C9RIPK1TACR1KDM4EALDH1A1
SCHEMBL1801790 0.74 RIPK1 (0.48) CYP2D6MAPK1TSHRRIPK1KDM4E
SCHEMBL1801944 0.74 CYP2D6 (0.40) CYP2D6TSHRCYP2C9RIPK1CHRM2
Simufilam SCHEMBL12627054 0.74 MC4R (0.46) MAPK1KDM4EALDH1A1HTTCCR5
SCHEMBL1802003 0.73 SMN1; SMN2 (0.50) CYP2D6TSHRRIPK1CHRM2CHRM3
SCHEMBL4001000 0.73 L3MBTL1 (0.43) CYP2D6MAPK1TSHROPRD1RIPK1
Simufilam SCHEMBL22361808 0.73 MC4R (0.45) MAPK1KDM4EALDH1A1HTTCCR5

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 CYP2D6 731/4885MAPK1 3097/4885TSHR 1666/4885

“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.