SCHEMBL4818176

SCHEMBL4818176

CCN1CCCC(O)(c2ccccc2CSc2cccc3ccccc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TSHR P16473 1/20 0.34
DHFR P00374 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN11 Q06124 1/20 0.33
IFNAR1 P17181 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
OPRL1 P41146 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32

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
Formic Acid SCHEMBL4911312 0.95 SMN1; SMN2 (0.35) MAPTSMN1; SMN2TMEM97SIGMAR1DRD2
SCHEMBL4911308 0.82 MAPT (0.35) MAPTSMN1; SMN2TMEM97SIGMAR1DRD2
SCHEMBL4824477 0.80 OPRL1 (0.41) DHFRALDH1A1IFNAR1OPRL1OPRM1
SCHEMBL6743664 0.75 TSHR (0.35) TMEM97SIGMAR1DRD2DRD4DRD3
SCHEMBL4822755 0.73 SLC6A4 (0.48) DRD2DRD3DHFRALDH1A1IFNAR1
SCHEMBL14027232 0.73 SLC6A2 (0.40) DRD2DRD3DHFRALDH1A1IFNAR1
Formic Acid SCHEMBL4911299 0.71 KDM4E (0.33) TMEM97SIGMAR1DRD2DRD4DRD3
SCHEMBL4818055 0.71 CHRM1 (0.48)
SCHEMBL9046812 0.70 KDM4E (0.51) DRD2DRD4DRD3TSHRALDH1A1
SCHEMBL11224937 0.68 DRD3 (0.43) MAPTDRD2DRD4DRD3KDM4E

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 MAPT 3726/4885SMN1; SMN2 3087/4885TMEM97 816/4885

“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.