SCHEMBL1998534

SCHEMBL1998534

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCSc2ccc(-c3ncc(-c4ccccc4)[nH]3)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.52
RORC P51449 4/20 0.47
NPY5R Q15761 2/20 0.44
CNR2 P34972 6/20 0.43
CYP11B1 P15538 1/20 0.43
NR1I2 O75469 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CNR1 P21554 3/20 0.40
CCR6 P51684 1/20 0.38

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
SCHEMBL1993866 0.90 CNR2 (0.46) SCN2ARORCNPY5RCNR2CYP11B1
SCHEMBL4055412 0.85 RORC (0.57) RORCCNR2CYP11B1NR1I2NR1H2
SCHEMBL1997923 0.80 RORC (0.50) RORCCNR2CYP11B1NR1I2NR1H2
SCHEMBL2003917 0.80 SCN2A (0.50) SCN2ARORCNPY5RCNR2CYP11B1
SCHEMBL1998946 0.74 PTPN2 (0.52) RORCCYP11B1NR1I2NR1H2NR1H3
SCHEMBL2001054 0.73 CNR1 (0.57) RORCCNR2CYP11B1NR1I2NR1H2
SCHEMBL2001224 0.73 NPC1 (0.48) RORCCYP11B1NR1I2NR1H2NR1H3
SCHEMBL2001965 0.73 CA2 (0.46) RORCNR1I2NR1H2NR1H3
SCHEMBL4062546 0.73 RORC (0.53) RORCCNR2CYP11B1NR1I2NR1H2
SCHEMBL1999370 0.72 CNR1 (0.57) RORCCNR2NR1I2NR1H2NR1H3

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 9 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
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 SCN2A 1778/4885RORC 21/4885NPY5R 91/4885

“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.