SCHEMBL4824477

SCHEMBL4824477

CN1CCC(O)(c2ccccc2CSc2cccc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.41
OPRM1 P35372 7/20 0.41
OPRD1 P41143 7/20 0.41
OPRK1 P41145 7/20 0.41
ALDH1A1 P00352 2/20 0.38
DHFR P00374 1/20 0.37
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
IFNAR1 P17181 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
MAPK1 P28482 1/20 0.36
NPY2R P49146 1/20 0.36
SLC6A1 P30531 1/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A11 P48066 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4822755 0.80 SLC6A4 (0.48) OPRL1OPRM1ALDH1A1DHFRIFNAR1
SCHEMBL14027232 0.80 SLC6A2 (0.40) OPRL1OPRM1ALDH1A1DHFRIFNAR1
SCHEMBL7256371 0.80 SLC6A3 (0.47) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4818176 0.80 MAPT (0.35) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11830646 0.77 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1SLC6A1
Formic Acid SCHEMBL4911312 0.76 SMN1; SMN2 (0.35) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4863798 0.76 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4818055 0.74 CHRM1 (0.48)
SCHEMBL14027243 0.73 HRH3 (0.34) ALDH1A1DHFRIFNAR1LMNANPY1R
SCHEMBL4867883 0.72 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R OPRL1 20/4885OPRM1 51/4885OPRD1 87/4885

“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.