SCHEMBL1801956

SCHEMBL1801956

Cc1ccc(F)c(C(=O)N2CCC3(CC2)NC(C(C)C)C(=O)N3Cc2cccc(C#N)c2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 6/20 0.36
USP2 O75604 4/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM1A O60341 1/20 0.34
DRD4 P21917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM3 P20309 2/20 0.33
RORC P51449 1/20 0.33
CNR2 P34972 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
SCHEMBL1801393 0.93 CYP3A4 (0.36) CCR5KCNH2CHRM4CYP3A4USP2
SCHEMBL1802337 0.89 TACR1 (0.38) CCR5KCNH2CHRM4CYP3A4USP2
SCHEMBL1800603 0.85 KDM1A (0.38) CCR5KCNH2CHRM4CYP3A4USP2
SCHEMBL1797577 0.84 AURKA (0.40) CHRM4CYP3A4USP2CYP2D6ALDH1A1
SCHEMBL1798973 0.83 CYP2C19 (0.37) CYP3A4USP2CYP2D6ALDH1A1CYP2C19
SCHEMBL1799690 0.82 CYP3A4 (0.38) CYP3A4USP2CYP2D6ALDH1A1CYP2C19
SCHEMBL5151460 0.82 CHRM3 (0.39) CCR5KCNH2CHRM4KDM1ADRD4
SCHEMBL1801052 0.81 USP2 (0.43) KCNH2CYP3A4USP2CYP2D6ALDH1A1
SCHEMBL1800639 0.81 P2RX7 (0.40) CYP3A4USP2CYP2D6KDM1ACHRM3
SCHEMBL1800852 0.80 TSHR (0.36) CCR5KCNH2CYP3A4USP2CYP2D6

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
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

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 CCR5 4456/4885KCNH2 4107/4885CHRM4 3162/4885

“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.