SCHEMBL2000823

SCHEMBL2000823

CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2cc(C(=O)N3CCCC3)ccc2S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NOD2 Q9HC29 1/20 0.45
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.42
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
RORC P51449 2/20 0.42
NR1I2 O75469 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MEN1 O00255 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
SCHEMBL4049757 0.92 ALDH1A1 (0.47) CNR1CNR2SMN1; SMN2LMNAKMT2A
SCHEMBL2003701 0.89 HPGD (0.48) SMN1; SMN2LMNAHTTKMT2ATP53
SCHEMBL1999477 0.88 CNR1 (0.51) CNR1CNR2SMN1; SMN2LMNAKMT2A
SCHEMBL1995669 0.83 CNR1 (0.67) CNR1CNR2SMN1; SMN2LMNAHTT
SCHEMBL1993673 0.82 CNR2 (0.73) CNR1CNR2KMT2APKMPOLB
SCHEMBL1998852 0.82 CNR1 (0.66) CNR1CNR2SMN1; SMN2LMNAHTT
SCHEMBL2000042 0.82 TSHR (0.47) SMN1; SMN2KMT2ATP53PKMCYP2C9
SCHEMBL13907098 0.79 CPT2 (0.47) CNR1CNR2KMT2ATP53POLB
SCHEMBL2002323 0.78 MCL1 (0.47) CNR1CNR2SMN1; SMN2KMT2ATP53
SCHEMBL12567617 0.77 CNR1 (0.46) CNR1CNR2MAPTRORCNR1I2

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 CNR1 1/4885CNR2 2/4885SMN1; SMN2 3964/4885

“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.