SCHEMBL4820196

SCHEMBL4820196

CCNS(=O)(=O)c1cccnc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR6 P50406 2/20 0.41
HTR2C P28335 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
DRD4 P21917 1/20 0.40
CHIA Q9BZP6 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
SCHEMBL2420105 0.85 EPHX2 (0.49) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL4551822 0.84 EPHX2 (0.50) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL28070943 0.81 DRD4 (0.53) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL20129651 0.78 EPHX2 (0.52) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL8660094 0.75 EPHX2 (0.55) EPHX2HTR2CDRD4
SCHEMBL3334093 0.74 EPHX2 (0.51) EPHX2HTR2C
Hydrochloric Acid SCHEMBL5901378 0.73 EPHX2 (0.45) EPHX2CYP3A4HTR6HTR2CLMNA
Hydrochloric Acid SCHEMBL8703350 0.73 EPHX2 (0.50) EPHX2HTR2C
Water SCHEMBL8415043 0.73 EPHX2 (0.50) EPHX2HTR2C
Hydrochloric Acid SCHEMBL9076651 0.72 PARP1 (0.49) EPHX2HTR2C

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 EPHX2 2956/4885CYP3A4 1186/4885TSHR 47/4885

“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.