SCHEMBL20282965

SCHEMBL20282965

CC(C)C(=O)[C@H](CCNCC1CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A3 Q01959 13/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL680787 0.88 ALDH1A1 (0.43) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL12194519 0.78 CYP3A4 (0.40) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL681289 0.77 AKT1 (0.38) SLC6A3SLC6A2SLC6A4CYP3A4
SCHEMBL16263182 0.77 AKT1 (0.38) SLC6A3SLC6A2SLC6A4CYP3A4
SCHEMBL684167 0.77 SLC6A3 (0.47) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL22622609 0.76 CDC7 (0.46) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL22622603 0.76 EPHX2 (0.47)
SCHEMBL2738602 0.74 SLC6A3 (0.41) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL680761 0.73 EPHX1 (0.40) SLC6A3SLC6A4CYP1A2CYP3A4
SCHEMBL680722 0.73 ALDH1A1 (0.48) LMNAALDH1A1HTTSMN1; SMN2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885ALDH1A1 1715/4885HTT 2076/4885

“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.