SCHEMBL5863067

SCHEMBL5863067

CN(C)CCCNC(=O)c1ccccc1-c1ccccc1CSCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
KCNA5 P22460 1/20 0.43
MAPK1 P28482 2/20 0.43
SLC6A5 Q9Y345 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NTSR1 P30989 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
Oxalic Acid SCHEMBL5863178 0.95 KDM4E (0.43) HTTKCNA5MAPK1SLC6A5NPC1
Oxalic Acid SCHEMBL5863050 0.92 KCNA5 (0.43) HTTKCNA5MAPK1NPC1RAB9A
SCHEMBL5863052 0.87 KDM4E (0.45) HTTMAPK1SLC6A5NPC1RAB9A
SCHEMBL5863100 0.87 FYN (0.46) NPC1RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL5863055 0.85 KDM4E (0.42) HTTMAPK1NPC1RAB9AKDM4E
SCHEMBL5863455 0.84 MCHR1 (0.42) HTTKDM4ESMN1; SMN2MCHR1ALDH1A1
SCHEMBL5863072 0.84 NPC1 (0.45) NPC1RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL5637477 0.83 HTT (0.40) HTTMAPK1NPC1RAB9AALOX15
Oxalic Acid SCHEMBL5863262 0.83 FYN (0.46) NPC1RAB9AKDM4EKMT2ASMN1; SMN2
Oxalic Acid SCHEMBL5863081 0.82 KDM4E (0.44) SLC6A5NPC1RAB9AKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R HTT 308/4885KCNA5 1296/4885MAPK1 989/4885

“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.