SCHEMBL1799690

SCHEMBL1799690

CC(C)C1NC2(CCN(C(=O)c3ccc(I)cc3)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.38
USP2 O75604 5/20 0.38
TSHR P16473 4/20 0.38
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 3/20 0.36
DRD4 P21917 1/20 0.36
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
F10 P00742 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
SCHEMBL1801052 0.88 USP2 (0.43) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL1804077 0.88 SCN5A (0.43) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL1800850 0.87 ALDH1A1 (0.43) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL1800985 0.86 GRIA3 (0.39) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL1800603 0.85 KDM1A (0.38) CYP3A4USP2CYP1A2ALDH1A1MAPK1
SCHEMBL5151460 0.85 CHRM3 (0.39) DRD4CHRM3JAK2JAK1TYK2
SCHEMBL1798973 0.85 CYP2C19 (0.37) CYP3A4USP2CYP1A2ALDH1A1MAPK1
SCHEMBL1800639 0.84 P2RX7 (0.40) CYP3A4USP2CYP2D6CHRM3JAK2
SCHEMBL1800459 0.83 MAPK1 (0.49) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL1797577 0.83 AURKA (0.40) CYP3A4USP2TSHRCYP1A2ALDH1A1

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 6 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
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
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 CYP3A4 156/4885USP2 1295/4885TSHR 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.