SCHEMBL4820281

SCHEMBL4820281

CCOC(=O)N1CCC(NCc2ccccc2SCc2cc(Br)ccc2OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM3 P20309 2/20 0.43
IDO1 P14902 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 1/20 0.41
NOS2 P35228 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4360818 0.88 USP2 (0.45) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14027203 0.85 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14046186 0.78 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL5768017 0.77 TACR1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4816458 0.74 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL4822063 0.73 CCR5 (0.44) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL4365822 0.72 CCR5 (0.51) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14027324 0.72 CCR5 (0.51) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14181882 0.72 PDE4B (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14027669 0.72 PDE4B (0.43) MEN1KMT2AKDM4EALDH1A1TSHR

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 5 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-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 MEN1 320/4885KMT2A 1838/4885KDM4E 1351/4885

“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.