SCHEMBL2940210

SCHEMBL2940210

CSCCC1NC2(CCN(C(=O)C3CCCC3)CC2)N(CC(=O)O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 7/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HDAC8 Q9BY41 2/20 0.30

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
SCHEMBL1801496 0.85 CCR5 (0.38) CCR5ALDH1A1TSHRHSD11B1KMT2A
SCHEMBL1802660 0.85 L3MBTL1 (0.31) CCR5ALDH1A1TSHRHSD11B1KMT2A
SCHEMBL1800410 0.84 OPRM1 (0.32) ALDH1A1HTTHDAC8
SCHEMBL2943562 0.82 CYP3A4 (0.36) ALDH1A1KMT2AMEN1HTTHDAC8
SCHEMBL4032819 0.82 POLB (0.34) ALDH1A1KMT2AMEN1MAPK1HTT
SCHEMBL1800965 0.82 HDAC8 (0.30) HDAC8
SCHEMBL2939906 0.82 TPSAB1 (0.32) ALDH1A1HTTHDAC8
SCHEMBL1798561 0.81 CCR5 (0.35) CCR5ALDH1A1TSHRHSD11B1KMT2A
SCHEMBL4036735 0.79 MAPT (0.43) ALDH1A1TSHRHTT
SCHEMBL2941205 0.78 MEN1 (0.44) ITGB3ITGA2BALDH1A1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 ITGB3 4197/4885ITGA2B 3983/4885CCR5 4456/4885

“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.