SCHEMBL1995496

SCHEMBL1995496

O=C(c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCS2)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
CPT2 P23786 2/20 0.52
CPT1A P50416 2/20 0.52
CPT1B Q92523 2/20 0.52
RORC P51449 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL1994888 0.99 HPGD (0.63) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL1998852 0.89 CNR1 (0.66) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL2001920 0.89 ALDH1A1 (0.53) HPGDMAPTKDM4EALDH1A1CNR1
SCHEMBL1995669 0.88 CNR1 (0.67) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL1999022 0.86 CNR1 (0.53) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL2002912 0.86 CPT1A (0.63) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL1996586 0.85 CNR1 (0.54) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL2003701 0.82 HPGD (0.48) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL2001124 0.82 CPT1A (0.54) HPGDMAPTKDM4EALDH1A1CNR1
SCHEMBL21972125 0.81 KDM4E (0.61) HPGDMAPTKDM4EALDH1A1CNR1

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 HPGD 291/4885MAPT 1743/4885KDM4E 4230/4885

“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.