SCHEMBL1996272

SCHEMBL1996272

CC(C)(C)c1noc(-c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCS3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.44
GPR119 Q8TDV5 4/20 0.43
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGLL Q99685 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NR1I2 O75469 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL1994714 0.91 RORC (0.46) RORCGPR119CPT2CPT1ACPT1B
SCHEMBL2002816 0.89 KMT2A (0.43) RORCGPR119ALDH1A1LMNACNR1
SCHEMBL1993263 0.85 GPR119 (0.43) RORCGPR119CPT2CPT1ACPT1B
SCHEMBL2000455 0.81 CA2 (0.49) MAPTALDH1A1LMNA
SCHEMBL1995614 0.76 CNR1 (0.48) RORCGPR119CPT2CPT1ACPT1B
SCHEMBL1996870 0.75 KMT2A (0.43) RORCGPR119CPT2CPT1ACPT1B
SCHEMBL2001224 0.75 NPC1 (0.48) RORCGPR119ALDH1A1NR1I2NR1H2
SCHEMBL1998709 0.75 CA2 (0.48) RORCMAPTALDH1A1LMNACNR1
SCHEMBL2001965 0.75 CA2 (0.46) RORCMAPTALDH1A1LMNANR1I2
SCHEMBL1994697 0.73 RORC (0.47) RORCGPR119CYP3A4CYP2C9CYP2C19

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 RORC 21/4885GPR119 253/4885CPT2 3725/4885

“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.