SCHEMBL16589702

SCHEMBL16589702

CN(C)CCNC(=O)C(Cc1ccc(O)cc1)N(C)C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.40
▸ OPRK1 P41145 6/20 0.40
▸ OPRM1 P35372 6/20 0.37
▸ OPRD1 P41143 5/20 0.37
▸ ESRRB O95718 2/20 0.37
▸ ESRRG P62508 2/20 0.37
▸ KIFC1 Q9BW19 1/20 0.36

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
SCHEMBL16589699 0.89 CYP3A4 (0.43) OPRK1OPRM1OPRD1KIFC1
SCHEMBL16589731 0.78 GRIA1 (0.64) GRIA1KIFC1
SCHEMBL16589704 0.78 KDM4E (0.33) —
SCHEMBL14032602 0.78 CYP3A4 (0.52) OPRK1OPRM1OPRD1
SCHEMBL16589700 0.77 ALDH1A1 (0.35) —
SCHEMBL16589741 0.76 CA1 (0.35) —
SCHEMBL15359366 0.76 GRIA1 (0.46) GRIA1
SCHEMBL19756275 0.75 KDM4E (0.33) —
SCHEMBL19756280 0.75 KDM4E (0.33) —
SCHEMBL26360881 0.75 KDM4E (0.33) —

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-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — US disclosed
US-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — 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-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ABCB1, CYP2D6, LDHA GRIA1 3272/4885OPRK1 604/4885OPRM1 339/4885

“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.

Send feedback