SCHEMBL1993673

SCHEMBL1993673

CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2cc(C(=O)NC3CCCC3)ccc2S1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.73
CNR1 P21554 1/20 0.73
KMT2A Q03164 6/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL1999477 0.86 CNR1 (0.51) CNR2CNR1KMT2AMEN1
SCHEMBL2000299 0.84 CNR1 (1.00) CNR2CNR1KMT2AMEN1L3MBTL1
SCHEMBL2000823 0.82 CNR1 (0.48) CNR2CNR1KMT2AMEN1L3MBTL1
SCHEMBL1996818 0.81 CNR1 (0.49) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL12567617 0.79 CNR1 (0.46) CNR2CNR1
SCHEMBL4049757 0.78 ALDH1A1 (0.47) CNR2CNR1KMT2AL3MBTL1ALDH1A1
SCHEMBL13907098 0.77 CPT2 (0.47) CNR2CNR1KMT2AMEN1POLB
SCHEMBL2001650 0.77 CNR1 (0.67) CNR2CNR1KMT2AMEN1L3MBTL1
SCHEMBL2002323 0.77 MCL1 (0.47) CNR2CNR1KMT2AMEN1
SCHEMBL2000215 0.75 NPC1 (0.43) CNR2CNR1KMT2AMEN1RAB9A

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 7 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

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 CNR2 2/4885CNR1 1/4885KMT2A 4507/4885

“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.