SCHEMBL4813557

SCHEMBL4813557

CCN1CCCC1N1CCC(OCc2cc(Br)ccc2OC)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CCR5 P51681 2/20 0.41
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD4 P21917 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
TMEM97 Q5BJF2 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4816192 0.75 KDM4E (0.56) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL14181851 0.75 KDM4E (0.56) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL20456011 0.75 KDM4E (0.51) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL4823892 0.67 TACR1 (0.46) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL29964963 0.65 KDM4E (0.70) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL14027687 0.65 KDM4E (0.64) DRD2KDM4EALDH1A1MEN1TSHR
SCHEMBL6557118 0.64 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL19462015 0.63 UTS2R (0.41) TSHRDRD4SIGMAR1
SCHEMBL14027335 0.63 FAAH (0.49) DRD2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2578985 0.62 SLC6A4 (0.56) KDM4ETDP1

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-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 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 DRD2 298/4885KDM4E 1351/4885ALDH1A1 3912/4885

“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.