SCHEMBL1801112

SCHEMBL1801112

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)c1ccc(NC(C)=O)cc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.45
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.39
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 2/20 0.38
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL1800768 0.89 KMT2A (0.43) CYP2C19SMN1; SMN2TSHRPOLBMAPT
SCHEMBL1807036 0.85 NPC1 (0.46) TSHR
SCHEMBL1800404 0.85 CA1 (0.52)
SCHEMBL1801910 0.84 KMT2A (0.44) HTTSMN1; SMN2TSHRPOLBMAPT
SCHEMBL2943099 0.83 CRBN (0.47) CRBNHTTCYP2C19SMN1; SMN2TSHR
SCHEMBL1798648 0.83 MGLL (0.42) HTTCYP2C19SMN1; SMN2TSHRKMT2A
SCHEMBL1801220 0.81 ALDH1A1 (0.48) SMN1; SMN2KMT2A
SCHEMBL1800448 0.81 KMT2A (0.40) CYP2C19TSHRKMT2A
SCHEMBL1801813 0.81 CYP2C9 (0.49) HTTCYP2C19SMN1; SMN2TSHRMAPT
SCHEMBL1796900 0.81 CYP3A4 (0.39) CYP2C19SMN1; SMN2TSHRNAMPT

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 CRBN 4317/4885HTT 914/4885CYP2C19 295/4885

“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.