SCHEMBL684447

SCHEMBL684447

CC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(C(C)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
AVPR1A P37288 4/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
CYP51A1 Q16850 1/20 0.42
OPRL1 P41146 1/20 0.42
EPHX2 P34913 1/20 0.42
DPP4 P27487 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL2738494 0.93 CYP2C9 (0.47) CYP2C9AVPR1AKDM4ERAB9AALDH1A1
SCHEMBL680886 0.89 CYP2C9 (0.44) CYP2C9AVPR1AKDM4ERAB9AALDH1A1
SCHEMBL683680 0.84 LMNA (0.42) AVPR1ALMNACYP51A1
SCHEMBL684223 0.83 CCR2 (0.41) AVPR1AALDH1A1LMNADPP4
SCHEMBL5452875 0.78 MC4R (0.41) AVPR1AKDM4EALDH1A1TRPV1LMNA
SCHEMBL3154278 0.76 YAP1 (0.54) RAB9AALDH1A1HPGD
SCHEMBL655029 0.75 YAP1 (0.54) RAB9AALDH1A1HPGDLMNA
SCHEMBL3147740 0.75 YAP1 (0.54) RAB9AALDH1A1HPGDLMNA
SCHEMBL10266221 0.74 LMNA (0.42) CYP2C9AVPR1ALMNACYP51A1DPP4
SCHEMBL684412 0.73 OPRL1 (0.46) KDM4EALDH1A1HPGDLMNAPTBP1

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 7 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-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 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 (4 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 CYP2C9 1278/4885AVPR1A 3770/4885KDM4E 1624/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885KDM4E 1647/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885KDM4E 1647/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885KDM4E 1647/4885

“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.