SCHEMBL1999752

SCHEMBL1999752

CC(C)(C)CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC(C)(C)S2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 0.40

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
SCHEMBL2000215 0.88 NPC1 (0.43) MAPTSMN1; SMN2CNR2CNR1TP53
SCHEMBL2002470 0.87 MAPT (0.45) MAPTSMN1; SMN2CNR2TP53MEN1
SCHEMBL2004861 0.84 CNR1 (0.43) MAPTCNR2CNR1TP53MEN1
SCHEMBL1998982 0.84 CNR1 (0.43) MAPTCNR2CNR1TP53MEN1
SCHEMBL4050862 0.84 CNR1 (0.43) MAPTCNR2CNR1TP53MEN1
SCHEMBL2002323 0.84 MCL1 (0.47) MAPTSMN1; SMN2CNR2CNR1TP53
SCHEMBL1998986 0.83 CYP2C9 (0.48) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1999363 0.82 CPT2 (0.41) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL2004860 0.82 MAPT (0.40) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4056358 0.82 MAPT (0.40) MAPTSMN1; SMN2TP53MEN1KMT2A

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 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

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 MAPT 1743/4885SMN1; SMN2 3964/4885CNR2 2/4885

“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.