SCHEMBL1995492

SCHEMBL1995492

CC(C)CNC(=O)c1ccc(SCCCl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
GAA P10253 4/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APEX1 P27695 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 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
SCHEMBL1997018 0.81 KDM4E (0.64) MAPTKMT2AMEN1GAALMNA
SCHEMBL1995617 0.81 HPGD (0.59) MAPTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7981162 0.80 MAPT (0.79) MAPTKMT2AMEN1GAALMNA
SCHEMBL2005152 0.80 APEX1 (0.55) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1996412 0.80 APEX1 (0.70) MAPTKMT2AMEN1LMNAHTT
SCHEMBL15355912 0.74 MAPT (0.52) MAPTKMT2AMEN1GAALMNA
SCHEMBL5946826 0.73 POLB (0.61) MAPTKMT2AMEN1GAALMNA
SCHEMBL9366071 0.72 MAPT (0.58) MAPTKMT2AMEN1GAALMNA
SCHEMBL5940592 0.71 RAB9A (0.74) MAPTKMT2AMEN1GAALMNA
SCHEMBL5946703 0.71 POLB (0.65) MAPTKMT2AMEN1GAALMNA

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 3 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-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 MAPT 1743/4885KMT2A 4507/4885MEN1 4313/4885

“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.