SCHEMBL1801393

SCHEMBL1801393

Cc1ccc(F)c(C(=O)N2CCC3(CC2)NC(C(C)C)C(=O)N3Cc2cccc(C#N)c2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
USP2 O75604 3/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM4 P08173 1/20 0.34
EPHX2 P34913 2/20 0.34
CCR3 P51677 1/20 0.34
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
MLNR O43193 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 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
SCHEMBL1801956 0.93 CCR5 (0.37) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL1802337 0.90 TACR1 (0.38) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL1797577 0.84 AURKA (0.40) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL1800639 0.84 P2RX7 (0.40) CYP3A4USP2CYP2D6ADRA1DMLNR
SCHEMBL1800603 0.84 KDM1A (0.38) CYP3A4USP2ALDH1A1CYP1A2CYP2C19
SCHEMBL1798973 0.82 CYP2C19 (0.37) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL5151460 0.81 CHRM3 (0.39) CCR5KCNH2CHRM4CCR3DRD4
SCHEMBL1799690 0.81 CYP3A4 (0.38) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL1801052 0.80 USP2 (0.43) CYP3A4USP2CYP2D6ALDH1A1CYP1A2
SCHEMBL1800852 0.79 TSHR (0.36) CYP3A4USP2CYP2D6ALDH1A1CCR5

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 10 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
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 CYP3A4 156/4885USP2 1295/4885CYP2D6 731/4885

“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.