SCHEMBL680913

SCHEMBL680913

CN1CCC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
SLC22A1 O15245 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
KCNH2 Q12809 1/20 0.57
DRD4 P21917 1/20 0.56
AKR1C1 Q04828 1/20 0.55
KMT2A Q03164 2/20 0.53
TET3 O43151 1/20 0.53
FBXL19 Q6PCT2 1/20 0.53
CXXC5 Q7LFL8 1/20 0.53
TET1 Q8NFU7 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
CXXC4 Q9H2H0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
CYP2C19 P33261 2/20 0.50
HSD11B1 P28845 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3046108 0.89 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL3396780 0.88 OPRM1 (0.66) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18269494 0.85 AKR1C1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28765681 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8324812 0.81 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4917642 0.79 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12227090 0.79 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6504241 0.79 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31292357 0.78 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27873229 0.78 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 28 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 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-9346789-B2 Combinations of AKT inhibitor compounds and abiraterone, and methods of use GENENTECH, INC. (US) 2016-05-24 US disclosed
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 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-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 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 OPRM1 4405/4885OPRD1 4210/4885OPRK1 4363/4885
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 OPRM1 3568/4885OPRD1 3184/4885OPRK1 2321/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 OPRM1 3431/4885OPRD1 2674/4885OPRK1 1738/4885
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA OPRM1 4543/4885OPRD1 4194/4885OPRK1 3250/4885
US-20160228440-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR OPRM1 4405/4885OPRD1 4210/4885OPRK1 4363/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885OPRD1 2512/4885OPRK1 1574/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK OPRM1 4477/4885OPRD1 4164/4885OPRK1 3213/4885
US-20160051550-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR OPRM1 4836/4885OPRD1 4562/4885OPRK1 4442/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885OPRD1 2512/4885OPRK1 1574/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA OPRM1 4473/4885OPRD1 4074/4885OPRK1 3069/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885OPRD1 2512/4885OPRK1 1574/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 OPRM1 3131/4885OPRD1 3339/4885OPRK1 1795/4885

“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.