SCHEMBL4824586

SCHEMBL4824586

CN1C2C=C(c3ccccc3CSc3cccc4ccccc34)CC1CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 6/20 0.52
SLC6A2 P23975 5/20 0.52
HTR1A P08908 1/20 0.39
SLC18A2 Q05940 1/20 0.36
IFNAR1 P17181 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY2R P49146 1/20 0.35
HTR6 P50406 1/20 0.35
DHFR P00374 1/20 0.34

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
SCHEMBL4824600 1.00 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2HTR1ASLC18A2
SCHEMBL3423701 0.82 SLC6A3 (0.66) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL6743669 0.74 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL4822755 0.71 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2SLC18A2IFNAR1
SCHEMBL4904964 0.70 HTR6 (0.46) SLC6A4HTR1AALDH1A1LMNANPY1R
SCHEMBL8207336 0.70 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL4813544 0.69 HPGD (0.38) IFNAR1ALDH1A1LMNANPY1RMAPK1
SCHEMBL1020818 0.69 SLC6A2 (0.69) SLC6A4SLC6A3SLC6A2HTR1ALMNA
SCHEMBL5829683 0.69 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2HTR1ALMNA
SCHEMBL2889995 0.68 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2HTR1AHTR6

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 6 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-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 SLC6A4 137/4885SLC6A3 376/4885SLC6A2 438/4885

“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.