SCHEMBL1998790

SCHEMBL1998790

O=C(NC1CCCC1)c1ccc2c(c1)NCCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
GAA P10253 2/20 0.57
SMYD3 Q9H7B4 2/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
PTGER3 P43115 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 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
SCHEMBL20580612 0.79 MAPT (0.56) NPC1RAB9AGAAPTGER3ALDH1A1
Hydrochloric Acid SCHEMBL34474909 0.78 MAPT (0.54) NPC1RAB9AGAAPTGER3ALDH1A1
SCHEMBL531751 0.78 GAA (0.88) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL18584281 0.76 TSHR (0.62) NPC1RAB9ASMN1; SMN2GAAPTGER3
SCHEMBL2121289 0.75 ALDH1A1 (0.58) HPGDGAAPTGER3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29426149 0.75 TSHR (0.60) NPC1RAB9ASMN1; SMN2GAAPTGER3
SCHEMBL3807781 0.75 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL2797986 0.75 NPC1 (0.75) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL1996452 0.74 L3MBTL1 (0.49) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL751823 0.74 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2TP53GAA

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 8 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
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 NPC1 458/4885RAB9A 1428/4885HPGD 291/4885

“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.