SCHEMBL683314

SCHEMBL683314

CC(=O)[C@H](CNC1CCOCC1)c1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.46
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
TLR4 O00206 1/20 0.38
P2RX7 Q99572 2/20 0.37
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 1/20 0.36
KDM1A O60341 2/20 0.35
CCR2 P41597 1/20 0.35
CXCR3 P49682 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDH1 O75874 1/20 0.35
PTH1R Q03431 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
SCHEMBL681471 0.89 OPRL1 (0.44) OPRL1AKT1AKT2AKT3TLR4
SCHEMBL8217301 0.89 OPRL1 (0.46) OPRL1AKT1AKT2AKT3TLR4
SCHEMBL16151910 0.87 AKT1 (0.36) OPRL1AKT1AKT2AKT3P2RX7
SCHEMBL681626 0.87 OPRL1 (0.44) OPRL1AKT1AKT2AKT3TLR4
SCHEMBL16151916 0.86 ALDH1A1 (0.37) OPRL1AKT1AKT2AKT3P2RX7
SCHEMBL683317 0.84 PDE2A (0.43) AKT1AKT2AKT3TRPV1CNR2
SCHEMBL18482278 0.82 OPRL1 (0.50) OPRL1P2RX7CXCR3
SCHEMBL20235996 0.82 OPRL1 (0.50) OPRL1P2RX7CXCR3
SCHEMBL683293 0.81 AKT3 (0.50) AKT1AKT2AKT3P2RX7CCR2
SCHEMBL22622557 0.81 OPRL1 (0.47) OPRL1KMT2ATRPV1CNR2IDH1

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 OPRL1 3780/4885AKT1 1/4885AKT2 2/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRL1 3551/4885AKT1 1/4885AKT2 2/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRL1 3551/4885AKT1 1/4885AKT2 2/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRL1 3551/4885AKT1 1/4885AKT2 2/4885

“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.