SCHEMBL1798461

SCHEMBL1798461

CCC(C(=O)O)N1C(=O)C(CC(C)C)NC12CCN(C(=O)c1ccco1)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.48
CYP2C9 P11712 5/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 9/20 0.47
CYP3A4 P08684 6/20 0.45
USP2 O75604 6/20 0.45
CHRM2 P08172 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2941350 0.83 CYP2D6 (0.50) CYP2D6CYP2C9TSHRCYP1A2CYP2C19
SCHEMBL1799979 0.81 CYP3A4 (0.40) CYP2D6CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL1800729 0.80 CYP2D6 (0.50) CYP2D6CYP2C9TSHRCYP1A2CYP2C19
SCHEMBL1799769 0.79 CYP3A4 (0.36) CYP2C9CYP2C19ALDH1A1CYP3A4USP2
SCHEMBL1800528 0.78 ADAMTS5 (0.34)
SCHEMBL1803452 0.78 NPC1 (0.52) CYP2D6CYP2C9TSHRCYP1A2CYP2C19
SCHEMBL1801620 0.78 CHRM2 (0.39) CYP2C9ALDH1A1CHRM2SMN1; SMN2
SCHEMBL1800968 0.77 CYP3A4 (0.41) CYP2D6CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL1800768 0.75 KMT2A (0.43) CYP2D6CYP2C9TSHRCYP2C19HIF1A
SCHEMBL4006906 0.75 CYP2D6 (0.53) CYP2D6CYP2C9TSHRCYP1A2CYP2C19

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 CYP2D6 731/4885CYP2C9 429/4885TSHR 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.