SCHEMBL1804457

SCHEMBL1804457

CC(C)C1NC2(CCN(C(=O)c3ccccc3C(=O)OCc3ccccc3)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
CHRM3 P20309 1/20 0.36
FAAH O00519 1/20 0.36
DRD4 P21917 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CHRM4 P08173 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PTGER4 P35408 1/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5151460 0.91 CHRM3 (0.39) CHRM3FAAHDRD4CHRM4OPRM1
SCHEMBL1801683 0.90 ALDH1A1 (0.39) CHRM3BRD4CREBBPALDH1A1CYP3A4
SCHEMBL1800603 0.86 KDM1A (0.38) CHRM3FAAHDRD4BRD4CHRM4
SCHEMBL1800639 0.85 P2RX7 (0.40) CHRM3FAAHPTGER4KDM1ACYP3A4
SCHEMBL1797577 0.83 AURKA (0.40) CHRM4KDM1AALDH1A1CYP3A4TSHR
SCHEMBL1801052 0.82 USP2 (0.43) ALDH1A1CYP3A4TSHRMAPK1KCNH2
SCHEMBL1797760 0.82 PARP1 (0.39) TACR1CHRM3FAAHDRD4CYP3A4
SCHEMBL1799690 0.81 CYP3A4 (0.38) CHRM3FAAHDRD4PTGER4ALDH1A1
SCHEMBL1800459 0.81 MAPK1 (0.49) CHRM3FAAHALDH1A1CYP3A4TSHR
SCHEMBL1798973 0.81 CYP2C19 (0.37) TACR1CHRM3FAAHDRD4ALDH1A1

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 5 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
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US 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 TACR1 560/4885MRGPRX1 330/4885CHRM3 3924/4885

“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.