SCHEMBL12323877

SCHEMBL12323877

CC(=O)C(CN1CCC(O)CC1)c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 2/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ OPRK1 P41145 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL12323915 0.86 ACACB (0.39) PAX8KCNA3ACACBOPRK1OPRM1
SCHEMBL12188328 0.86 NTSR1 (0.45) —
SCHEMBL12188576 0.86 NTSR1 (0.45) —
SCHEMBL12188573 0.86 NTSR1 (0.45) —
SCHEMBL12188415 0.86 SLC18A3 (0.44) PAX8KCNA3ALDH1A1
SCHEMBL2738773 0.86 KCNA3 (0.38) PAX8KCNA3ACACBOPRK1OPRM1
SCHEMBL12167860 0.84 HTR2A (0.37) PAX8ACACBOPRK1OPRM1OPRD1
SCHEMBL12188473 0.80 TACR2 (0.49) PAX8OPRK1ALDH1A1CYP2D6
SCHEMBL12391472 0.80 TACR2 (0.49) PAX8OPRK1ALDH1A1CYP2D6
SCHEMBL16151964 0.80 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6

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
EP-2049500-B1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-07 — — EP disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885KCNA3 4794/4885ACACB 3204/4885

“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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