SCHEMBL16589731

SCHEMBL16589731

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 7/20 0.64
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CHRND Q07001 6/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ AVPR1A P37288 1/20 0.46
▸ KIFC1 Q9BW19 1/20 0.46
▸ CTSL P07711 1/20 0.45

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
SCHEMBL16589714 0.89 GRIA1 (0.51) GRIA1CTSSCTSKKIFC1CTSL
SCHEMBL20866078 0.86 GRIA1 (0.68) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL16589721 0.85 GRIA1 (0.77) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL15359366 0.83 GRIA1 (0.46) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16589702 0.78 GRIA1 (0.40) GRIA1KIFC1
SCHEMBL14032602 0.78 CYP3A4 (0.52) —
SCHEMBL2550705 0.77 FOLH1 (0.61) GRIA1
SCHEMBL2550703 0.77 FOLH1 (0.61) GRIA1
SCHEMBL16589717 0.77 KDM4E (0.37) GRIA1AVPR1AKIFC1
SCHEMBL16589716 0.76 KDM4E (0.36) GRIA1AVPR1AKIFC1

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 3272/4885CTSS 1210/4885CTSK 2100/4885

“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.

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