SCHEMBL2523912

SCHEMBL2523912

CN(C)CCOC(c1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.53
SLC6A2 P23975 12/20 0.53
SLC6A3 Q01959 12/20 0.53
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RPS6KB1 P23443 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
SCHEMBL2523911 1.00 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3LMNACHRM2
SCHEMBL2523957 1.00 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3LMNACHRM2
SCHEMBL16657611 0.82 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3
SCHEMBL3405447 0.79 KDM4E (0.47) SLC6A4SLC6A2SLC6A3LMNACHRM2
SCHEMBL14980395 0.79 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL14090989 0.77 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL23532373 0.71 RPS6KB1 (0.54) RPS6KB1
SCHEMBL29894639 0.70 RPS6KB1 (0.53) RPS6KB1
SCHEMBL3895066 0.70 SLC6A2 (0.75) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL27808050 0.68 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328091-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2016-05-03 US disclosed
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
US-8895566-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
EP-2250155-B1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-04-04 US disclosed
US-8329709-B2 5H-cyclopenta[D]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2012-12-11 US disclosed
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP disclosed
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2011-10-13 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
EP-2250155-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009089462-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 SLC6A4 4294/4885SLC6A2 4586/4885SLC6A3 4435/4885
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 SLC6A4 3196/4885SLC6A2 3899/4885SLC6A3 3700/4885
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 SLC6A4 3196/4885SLC6A2 3899/4885SLC6A3 3700/4885
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 SLC6A4 3302/4885SLC6A2 4078/4885SLC6A3 3828/4885

“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.