SCHEMBL2003083

SCHEMBL2003083

CC(C)CNC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1)CCS2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 4/20 0.49
TP53 P04637 4/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1997619 0.92 MAPT (0.57) MAPTSMN1; SMN2GAATP53KMT2A
SCHEMBL2000452 0.91 MAPT (0.56) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL1998457 0.91 KDM4E (0.53) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL2002931 0.89 GFER (0.59) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1998544 0.86 MAPT (0.57) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL2003685 0.82 MAPT (0.53) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL2001916 0.81 RAB9A (0.47) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL2001001 0.81 CPT2 (0.55) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL21905589 0.80 MAPT (0.72) MAPTSMN1; SMN2GAATP53RAB9A
SCHEMBL1996659 0.78 MAPT (0.49) MAPTSMN1; SMN2GAATP53RAB9A

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 claimed
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

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 MAPT 1743/4885SMN1; SMN2 3964/4885GAA 2326/4885

“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.