SCHEMBL5863455

SCHEMBL5863455

CN(C)CCCNC(=O)c1ccccc1-c1cccc(CSCCOc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
SIGMAR1 Q99720 4/20 0.41
KDM4E B2RXH2 2/20 0.41
METAP2 P50579 1/20 0.41
HTT P42858 1/20 0.41
APP P05067 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK1 Q13464 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
FYN P06241 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL5864900 0.97 DRD3 (0.42) MCHR1KDM4EMETAP2APPALDH1A1
Hydrochloric Acid SCHEMBL5863297 0.94 KDM4E (0.41) MCHR1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL5863052 0.90 KDM4E (0.45) MCHR1KDM4EMETAP2HTTALDH1A1
SCHEMBL5863055 0.86 KDM4E (0.42) MCHR1KDM4EHTTALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL5863081 0.86 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL5863234 0.86 SIGMAR1 (0.49) SIGMAR1KDM4EALDH1A1ROCK2CYP3A4
Oxalic Acid SCHEMBL5863123 0.85 CYP3A4 (0.51) MCHR1SIGMAR1KDM4EALDH1A1ROCK2
SCHEMBL5863067 0.84 HTT (0.44) MCHR1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL6272024 0.84 KDM4E (0.43) MCHR1KDM4EHTTALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL5863493 0.83 KDM4E (0.45) KDM4EHTTALDH1A1SMN1; SMN2

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 MCHR1 1/4885SIGMAR1 87/4885KDM4E 2532/4885

“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.