SCHEMBL679857

SCHEMBL679857

C[C@@H]1CNCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.47
KDM1A O60341 7/20 0.47
CCR5 P51681 1/20 0.46
MAOB P27338 9/20 0.43
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL13484227 1.00 MAOA (0.47) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL684465 1.00 MAOA (0.47) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL15084368 1.00 MAOA (0.47) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL14330231 1.00 MAOA (0.47) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL17948233 1.00 MAOA (0.47) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL19341986 0.86 KDM1A (0.50) MAOAKDM1ACCR5MAOBADRA2A
SCHEMBL19908542 0.86 KDM1A (0.50) MAOAKDM1ACCR5MAOBADRA2A
SCHEMBL15084369 0.84 KDM1A (0.37) MAOAKDM1ACCR5HTR1ASLC6A2
SCHEMBL3870077 0.84 MAOA (0.55) MAOAKDM1ACCR5MAOBCYP2C19
SCHEMBL3870080 0.84 MAOA (0.55) MAOAKDM1ACCR5MAOBCYP2C19

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 26 patents — showing the first 20. 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
US-9717730-B2 Combinations of AKT inhibitor compounds and chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2017-08-01 US disclosed
US-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2017-06-08 US disclosed
US-9610289-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2017-04-04 US disclosed
US-20160228440-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2016-08-11 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-20160051550-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE GENENTECH, INC. (US) 2016-02-25 US disclosed
US-9150549-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2015-10-06 US disclosed
US-9150548-B2 Combinations of AKT inhibitor compounds and vemurafenib, and methods of use GENENTECH, INC. (US) 2015-10-06 US disclosed
US-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE GENENTECH, INC. (US) 2014-08-07 US disclosed
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 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
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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 (12 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-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR MAOA 4476/4885KDM1A 3866/4885CCR5 1098/4885
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 MAOA 3102/4885KDM1A 2382/4885CCR5 2114/4885
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA MAOA 4329/4885KDM1A 2672/4885CCR5 1931/4885
US-20160228440-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR MAOA 4476/4885KDM1A 3866/4885CCR5 1098/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAOA 3650/4885KDM1A 1767/4885CCR5 1344/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK MAOA 4219/4885KDM1A 2686/4885CCR5 1773/4885
US-20160051550-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR MAOA 4447/4885KDM1A 2947/4885CCR5 2157/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAOA 3650/4885KDM1A 1767/4885CCR5 1344/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAOA 3650/4885KDM1A 1767/4885CCR5 1344/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAOA 3650/4885KDM1A 1767/4885CCR5 1344/4885
US-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR MAOA 4532/4885KDM1A 3288/4885CCR5 2096/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MAOA 3742/4885KDM1A 2865/4885CCR5 1082/4885

“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.