SCHEMBL2000299

SCHEMBL2000299

O=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 1.00
CNR2 P34972 1/20 1.00
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.51
MAPK1 P28482 1/20 0.51
CPT2 P23786 2/20 0.50
CPT1A P50416 2/20 0.50
CPT1B Q92523 2/20 0.50
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL2004701 0.90 CNR1 (0.82) CNR1CNR2ALDH1A1NPSR1KDM4E
SCHEMBL2003699 0.84 CNR1 (0.72) CNR1CNR2GAAKDM4EMAPT
SCHEMBL1993673 0.84 CNR2 (0.73) CNR1CNR2ALDH1A1NPSR1GAA
SCHEMBL1999751 0.83 CNR2 (0.71) CNR1CNR2ALDH1A1NPSR1GAA
SCHEMBL1998750 0.82 CNR1 (0.69) CNR1CNR2ALDH1A1GAAKDM4E
SCHEMBL2002607 0.82 CNR1 (0.69) CNR1CNR2ALDH1A1GAAKDM4E
SCHEMBL2003775 0.82 CNR1 (0.69) CNR1CNR2ALDH1A1NPSR1GAA
SCHEMBL1998496 0.81 CNR1 (0.68) CNR1CNR2ALDH1A1GAAKDM4E
SCHEMBL1995571 0.81 CNR1 (0.67) CNR1CNR2ALDH1A1GAAKDM4E
SCHEMBL1995669 0.81 CNR1 (0.67) CNR1CNR2ALDH1A1KDM4ELMNA

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 CNR1 1/4885CNR2 2/4885ALDH1A1 1422/4885

“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.