SCHEMBL14027232

SCHEMBL14027232

CN1C2CC1CC(O)(c1ccccc1CSc1cccc3ccccc13)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HRH3 Q9Y5N1 3/20 0.37
ALDH1A1 P00352 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
DHFR P00374 1/20 0.35
SLC18A2 Q05940 1/20 0.35
IFNAR1 P17181 1/20 0.34
LMNA P02545 2/20 0.34
NPY1R P25929 1/20 0.34
MAPK1 P28482 1/20 0.34
NPY2R P49146 1/20 0.34
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CBX7 O95931 1/20 0.33

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 0.93 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HRH3ALDH1A1
SCHEMBL4824477 0.80 OPRL1 (0.41) ALDH1A1OPRM1OPRL1DHFRIFNAR1
SCHEMBL14027243 0.75 HRH3 (0.34) HRH3ALDH1A1DHFRIFNAR1LMNA
SCHEMBL4818176 0.73 MAPT (0.35) ALDH1A1OPRM1OPRL1DHFRIFNAR1
SCHEMBL4818055 0.71 CHRM1 (0.48) KMT2A
Formic Acid SCHEMBL4911312 0.69 SMN1; SMN2 (0.35) ALDH1A1OPRM1OPRL1DHFRLMNA
SCHEMBL4824586 0.67 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1DHFR
SCHEMBL4824600 0.67 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1DHFR
SCHEMBL6742634 0.66 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL4904964 0.60 HTR6 (0.46) SLC6A4ALDH1A1LMNANPY1RMAPK1

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-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

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

“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.