SCHEMBL12188535

SCHEMBL12188535

CC(=O)C(CN1CCC1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.56
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.46
MITF O75030 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PAX8 Q06710 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
ATM Q13315 1/20 0.46
BRD4 O60885 1/20 0.45
SLC6A9 P48067 1/20 0.42
SLC6A2 P23975 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
MC4R P32245 1/20 0.41
KCNQ2 O43526 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
SCHEMBL12188434 1.00 NTSR1 (0.56) NTSR1USP2ALOX15POLBTSHR
SCHEMBL684408 1.00 NTSR1 (0.56) NTSR1USP2ALOX15POLBTSHR
SCHEMBL684723 0.97 NTSR1 (0.59) NTSR1USP2ALOX15POLBTSHR
SCHEMBL12219561 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL14295079 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL12188472 0.88 MEN1 (0.54) NTSR1USP2POLBTSHRALDH1A1
SCHEMBL14288313 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL12188339 0.88 MEN1 (0.54) NTSR1USP2POLBTSHRALDH1A1
SCHEMBL12188386 0.88 PAX8 (0.52) NTSR1MITFALDH1A1SMN1; SMN2PAX8
SCHEMBL12188383 0.88 PAX8 (0.52) NTSR1MITFALDH1A1SMN1; SMN2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US 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 (6 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 NTSR1 4622/4885USP2 2212/4885ALOX15 2603/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 NTSR1 3728/4885USP2 3024/4885ALOX15 2811/4885

“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.