SCHEMBL1996452

SCHEMBL1996452

O=C(NC1CCCC1)c1ccc2c(c1)NCCS2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 9/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 8/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 3/20 0.46
SMYD3 Q9H7B4 1/20 0.46
MLLT1 Q03111 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 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
SCHEMBL1997553 0.79 HDAC1 (0.46) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL1238568 0.79 HTT (0.56) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL1997763 0.76 HDAC1 (0.46) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2363066 0.76 ALDH1A1 (0.47) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL1998790 0.74 NPC1 (0.66) L3MBTL1RAB9AMEN1KMT2ANPC1
SCHEMBL29978912 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL5507018 0.74 ALDH1A1 (0.44) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL753087 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL4229021 0.74 FAAH (0.53) L3MBTL1MEN1KMT2ACNR2TSHR
SCHEMBL1997751 0.73 KMT2A (0.54) MEN1KMT2ACNR2ALDH1A1NPSR1

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 7 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
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 L3MBTL1 4783/4885RAB9A 1428/4885MEN1 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.