SCHEMBL271176

SCHEMBL271176

CC(C)(C)N(C(=O)O)[C@@H](CNCc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
OPRK1 P41145 7/20 0.50
OPRD1 P41143 6/20 0.50
OPRM1 P35372 3/20 0.47
BCHE P06276 5/20 0.43
BACE1 P56817 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SLC6A11 P48066 1/20 0.41
ANPEP P15144 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
SCHEMBL27487738 0.81 OPRK1 (0.56) ATMOPRK1OPRD1OPRM1BACE1
SCHEMBL6318879 0.81 OPRK1 (0.56) ATMOPRK1OPRD1OPRM1BACE1
SCHEMBL5066181 0.81 ALPI (0.43) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL18344466 0.81 ALPI (0.43) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL4064873 0.81 ALPI (0.43) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL14909569 0.80 ALPI (0.46) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL14909570 0.80 ALPI (0.46) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL272595 0.80 ALPI (0.46) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL15656654 0.79 MMP2 (0.49) OPRK1OPRD1OPRM1ALDH1A1LMNA
SCHEMBL6326395 0.76 ATM (0.59) ATMOPRK1OPRD1OPRM1BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885OPRK1 576/4885OPRD1 593/4885

“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.