SCHEMBL4816192

SCHEMBL4816192

COc1ccc(Br)cc1COC1CCCN(CCN2CCCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CCR5 P51681 1/20 0.52
ALDH1A1 P00352 3/20 0.50
DRD4 P21917 7/20 0.49
SIGMAR1 Q99720 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
TMEM97 Q5BJF2 3/20 0.47
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14181851 0.95 KDM4E (0.56) KDM4ETDP1CCR5ALDH1A1DRD4
SCHEMBL20456011 0.79 KDM4E (0.51) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL14027575 0.77 KDM4E (0.54) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL4813557 0.75 DRD2 (0.45) KDM4ETDP1CCR5ALDH1A1DRD4
SCHEMBL4823892 0.73 TACR1 (0.46) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL29965021 0.71 KDM4E (0.65) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL14027687 0.71 KDM4E (0.64) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL29964963 0.69 KDM4E (0.70) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL2323789 0.68 LTA4H (0.66) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL6557118 0.67 KDM4E (0.55) KDM4ETDP1ALDH1A1MEN1KMT2A

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 KDM4E 1351/4885TDP1 4856/4885CCR5 297/4885

“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.