SCHEMBL1997751

SCHEMBL1997751

CC(C)CNC(=O)c1ccc2c(c1)NCCS2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 4/20 0.49
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MLYCD O95822 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
MAPK14 Q16539 1/20 0.41
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL1997553 0.83 HDAC1 (0.46) KMT2AGAAHPGDHDAC1HDAC8
SCHEMBL2004664 0.80 HPGD (0.57) KMT2AGAAHPGDKDM4EPOLB
SCHEMBL1997763 0.78 HDAC1 (0.46) KMT2AGAAHPGDHDAC1HDAC8
SCHEMBL29978912 0.76 ALDH1A1 (0.60) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL1238568 0.75 HTT (0.56) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL2363066 0.75 ALDH1A1 (0.47) KMT2AGAAHSD17B10HDAC1HDAC8
SCHEMBL2001888 0.75 GAA (0.50) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL1996452 0.73 L3MBTL1 (0.49) KMT2AGAAHPGDNPSR1MEN1
SCHEMBL2003083 0.71 MAPT (0.55) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL17865783 0.71 MLYCD (0.73) KMT2AGAAHSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 KMT2A 4507/4885GAA 2326/4885HSD17B10 908/4885

“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.