SCHEMBL4822063

SCHEMBL4822063

COc1ccc(Br)cc1CSc1ccccc1CN1CCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.44
CCR2 P41597 1/20 0.44
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.41
DDR1 Q08345 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KCNA3 P22001 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
KDM4D Q6B0I6 1/20 0.40

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
SCHEMBL14046186 0.89 KDM4E (0.49) CCR5CCR2KDM4EALDH1A1MEN1
SCHEMBL4818468 0.83 HTT (0.43) CCR2SCN9AALDH1A1TSHRDRD2
SCHEMBL4365822 0.81 CCR5 (0.51) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL14027324 0.81 CCR5 (0.51) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4367612 0.79 KDM4E (0.47) CCR5KDM4EALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL4912565 0.78 KDM4E (0.46) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL6140295 0.75 CCR5 (0.75) CCR5
SCHEMBL4816458 0.75 KDM4E (0.58) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL14181882 0.74 PDE4B (0.43) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL14027669 0.74 PDE4B (0.43) CCR5KDM4EALDH1A1MEN1TSHR

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 CCR5 297/4885CCR2 385/4885SCN9A 1679/4885

“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.