SCHEMBL1995669

SCHEMBL1995669

O=C(c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.67
CNR2 P34972 1/20 0.67
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
RORC P51449 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NR1I2 O75469 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NOD2 Q9HC29 1/20 0.48
KMT2A Q03164 2/20 0.48
CPT2 P23786 2/20 0.47
CPT1A P50416 2/20 0.47
CPT1B Q92523 2/20 0.47
POLB P06746 2/20 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
SCHEMBL1998852 0.99 CNR1 (0.66) CNR1CNR2MAPTHPGDRORC
SCHEMBL1997717 0.91 CNR1 (0.61) CNR1CNR2RORCALDH1A1NR1I2
SCHEMBL1994888 0.89 HPGD (0.63) CNR1CNR2MAPTHPGDRORC
SCHEMBL1996586 0.89 CNR1 (0.54) CNR1CNR2MAPTHPGDRORC
SCHEMBL1995496 0.88 HPGD (0.65) CNR1CNR2MAPTHPGDRORC
SCHEMBL1999022 0.88 CNR1 (0.53) CNR1CNR2MAPTHPGDRORC
SCHEMBL2003699 0.86 CNR1 (0.72) CNR1CNR2MAPTRORCKDM4E
SCHEMBL1998496 0.85 CNR1 (0.68) CNR1CNR2MAPTHPGDRORC
SCHEMBL1997848 0.83 CNR1 (0.66) CNR1CNR2MAPTHPGDRORC
SCHEMBL1995571 0.83 CNR1 (0.67) CNR1CNR2MAPTHPGDRORC

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 6 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-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 2/4885MAPT 1743/4885

“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.