SCHEMBL1995585

SCHEMBL1995585

COC(=O)c1ccc2c(c1)NCCC(C)(C)S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.46
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
ALOX15 P16050 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FGB P02675 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL29978912 0.79 ALDH1A1 (0.60) ALDH1A1LMNAHTTRARARARB
SCHEMBL753087 0.79 ALDH1A1 (0.60) ALDH1A1LMNAHTTRARARARB
SCHEMBL3328395 0.77 ALDH1A1 (0.58) ALDH1A1LMNAHTTRARARARB
SCHEMBL12362362 0.76 ALDH1A1 (0.60) ALDH1A1LMNAHTTRARARARB
SCHEMBL28765816 0.76 ALDH1A1 (0.63) ALDH1A1LMNAHTTALOX15SMN1; SMN2
SCHEMBL28264372 0.75 CA1 (0.50) ALDH1A1LMNAHTTALOX15SMN1; SMN2
SCHEMBL22226391 0.71 ALDH1A1 (0.51) ALDH1A1LMNAHTTRARARARB
SCHEMBL29256239 0.71 HTT (0.52) ALDH1A1LMNAHTTALOX15SMN1; SMN2
SCHEMBL2898350 0.71 ALDH1A1 (0.47) ALDH1A1LMNAHTTALOX15SMN1; SMN2
SCHEMBL29906783 0.71 ALDH1A1 (0.47) ALDH1A1LMNAHTTALOX15SMN1; SMN2

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 ALDH1A1 1422/4885LMNA 3328/4885HTT 1814/4885

“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.