SCHEMBL1798561

SCHEMBL1798561

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)C1CCCC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.35
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 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
SCHEMBL1800700 0.85 CYP3A4 (0.37) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL1803756 0.83 TPSAB1 (0.31) KMT2AMEN1
SCHEMBL1800500 0.81 MEN1 (0.41) CCR5KMT2AMEN1ALDH1A1MAPK1
SCHEMBL3925429 0.81 CYP1A2 (0.41) ALDH1A1TSHR
SCHEMBL2940210 0.81 ITGB3 (0.36) CCR5HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL1798634 0.79 GAA (0.38) ALDH1A1HTT
SCHEMBL1799557 0.79 HPGD (0.39) KMT2AMEN1ALDH1A1HTT
SCHEMBL1801988 0.79 CHRNA4 (0.36)
SCHEMBL1800465 0.79 HTT (0.42) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL1801173 0.79 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1TSHR

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 4 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
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 CCR5 4456/4885HSD11B1 2681/4885KMT2A 4267/4885

“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.