SCHEMBL6716008

SCHEMBL6716008

CC(CCCc1ccccc1)(C(=O)O)c1ccc(CCCNC(=O)c2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ESRRG P62508 2/20 0.47
MLYCD O95822 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTAFR P25105 1/20 0.46
HPGDS O60760 1/20 0.46
F10 P00742 1/20 0.45
FAAH O00519 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL6713407 0.85 NPC1 (0.53) NPC1RAB9AMLYCDEPHX2SMN1; SMN2
SCHEMBL6718174 0.81 NPC1 (0.57) NPC1RAB9AMLYCDEPHX2SMN1; SMN2
SCHEMBL6714939 0.81 NPC1 (0.57) NPC1RAB9AMLYCDEPHX2SMN1; SMN2
SCHEMBL6717890 0.79 NPC1 (0.47) NPC1RAB9AMLYCDEPHX2SMN1; SMN2
SCHEMBL6717889 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HPGDSPOLB
SCHEMBL14082177 0.75 HPGDS (0.59) TRPV1SMN1; SMN2HPGDSHTR1ADRD2
SCHEMBL6715138 0.74 NPC1 (0.48) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13577909 0.74 NAAA (0.65) HPGDSHTR1ADRD2HTR2AHTR2C
SCHEMBL4906850 0.73 HPGDS (0.59) TRPV1HPGDSPOLBHTR1ADRD2
SCHEMBL17704486 0.73 TRPV1 (0.67) RAB9ATRPV1EPHX2HPGDS

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 NPC1 812/4885RAB9A 3140/4885ESRRG 124/4885

“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.