SCHEMBL6489631

SCHEMBL6489631

CC(C)c1ccc(-c2ccccc2)c(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
NPC1 O15118 2/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMO Q99835 1/20 0.44
NR3C1 P04150 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL6489185 0.94 TAS1R3 (0.53) TAS1R3TAS1R1NPC1MAOBSMN1; SMN2
SCHEMBL6489333 0.94 TAS1R3 (0.53) TAS1R3TAS1R1NPC1MAOBSMN1; SMN2
SCHEMBL6489909 0.91 TAS1R3 (0.51) TAS1R3TAS1R1NPC1MAOBALDH1A1
SCHEMBL6788390 0.88 TAS1R3 (0.61) TAS1R3TAS1R1NPC1MAOBSMN1; SMN2
SCHEMBL6799491 0.88 TAS1R3 (0.53) TAS1R3TAS1R1NPC1SMN1; SMN2ALDH1A1
SCHEMBL6498179 0.87 RAB9A (0.47) TAS1R3TAS1R1NPC1ADORA2AADORA1
SCHEMBL6492508 0.87 SMN1; SMN2 (0.52) TAS1R3TAS1R1NPC1ADORA2AADORA1
Hydrochloric Acid SCHEMBL7079728 0.86 SMN1; SMN2 (0.51) TAS1R3TAS1R1NPC1ADORA2AADORA1
SCHEMBL7080851 0.86 SMO (0.49) TAS1R3TAS1R1NPC1ADORA2AADORA1
SCHEMBL7085345 0.86 CNR1 (0.55) TAS1R3TAS1R1NPC1ADORA2AADORA1

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 TAS1R3 4388/4885TAS1R1 3270/4885NPC1 100/4885

“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.