SCHEMBL5863052

SCHEMBL5863052

CN(C)CCCNC(=O)c1ccccc1-c1ccc(CSCCOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.42
MCHR1 Q99705 2/20 0.42
SLC6A5 Q9Y345 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
NOD2 Q9HC29 1/20 0.41
FYN P06241 1/20 0.41
METAP2 P50579 1/20 0.41
LSS P48449 1/20 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 SCHEMBL5863081 0.95 KDM4E (0.44) KDM4ESLC6A5NPC1RAB9AALDH1A1
Oxalic Acid SCHEMBL5863493 0.93 KDM4E (0.45) KDM4EHTTNPC1RAB9AALDH1A1
SCHEMBL5863455 0.90 MCHR1 (0.42) KDM4EHTTMCHR1ALDH1A1SMN1; SMN2
SCHEMBL5864900 0.87 DRD3 (0.42) KDM4EMCHR1ALDH1A1MAPTKMT2A
SCHEMBL5863055 0.87 KDM4E (0.42) KDM4EHTTMCHR1NPC1RAB9A
SCHEMBL5863067 0.87 HTT (0.44) KDM4EHTTMCHR1SLC6A5NPC1
Hydrochloric Acid SCHEMBL5863069 0.87 ROCK2 (0.49) KDM4EMCHR1NPC1RAB9AALDH1A1
SCHEMBL6272024 0.84 KDM4E (0.43) KDM4EHTTMCHR1NPC1RAB9A
Hydrochloric Acid SCHEMBL5863297 0.83 KDM4E (0.41) KDM4EHTTMCHR1NPC1RAB9A
SCHEMBL5863289 0.83 FYN (0.50) MCHR1NPC1RAB9ALMNAMAPT

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 KDM4E 2532/4885HTT 308/4885MCHR1 1/4885

“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.