SCHEMBL16801893

SCHEMBL16801893

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL12377019 0.98 PDK2 (0.38) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21141334 0.97 PDK2 (0.37) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL26819386 0.96 PDK2 (0.36) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17690096 0.96 PDK2 (0.36) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17816759 0.94 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL15183785 0.94 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL20434340 0.93 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL30316566 0.93 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21558978 0.93 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17816730 0.93 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
US-20230389344-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230389344-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 US disclosed
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 US disclosed
WO-2023099430-A1 TRIPHENYLENE-TRIAZINE-DIBENZOFURAN/DIBENZOTHIOPHENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-08 WO disclosed
WO-2018077660-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2018-05-03 WO disclosed
EP-3077477-B1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20160301005-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160301005-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
WO-2015082056-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-11 WO 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-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT PDK2 413/4885MLNR 4547/4885NR1I2 1598/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PDK2 2111/4885MLNR 4813/4885NR1I2 2653/4885
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES SELE, EPHA6, EPX PDK2 1021/4885MLNR 4798/4885NR1I2 4439/4885
US-20160301005-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, AFF2, CYP2C19 PDK2 1430/4885MLNR 4358/4885NR1I2 1978/4885

“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.