SCHEMBL680112

SCHEMBL680112

CC1CN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A9 P48067 4/20 0.40
NTSR1 P30989 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
S1PR1 P21453 1/20 0.36
MC4R P32245 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
SCHEMBL681201 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681188 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681193 0.90 SIGMAR1 (0.47) SIGMAR1KDM4EHSD17B10L3MBTL1
SCHEMBL681198 0.89 NTSR1 (0.40) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681414 0.89 NTSR1 (0.40) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL679624 0.89 NTSR1 (0.40) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681451 0.88 ALDH1A1 (0.54) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681022 0.88 ALDH1A1 (0.54) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL681295 0.88 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1THRBKMT2A
SCHEMBL680790 0.88 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SMN1; SMN2 3564/4885MEN1 1677/4885ALDH1A1 1715/4885

“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.