SCHEMBL10028646

SCHEMBL10028646

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)CCCCC4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PGR P06401 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1I2 O75469 1/20 0.38
HSD11B1 P28845 1/20 0.38
AKT2 P31751 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL18533959 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL13539978 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL10031189 0.98 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL8640292 0.98 ESR1 (0.46) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL27271164 0.97 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL27270849 0.97 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL27270395 0.97 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL14018355 0.93 ESR1 (0.50) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL400884 0.93 ESR1 (0.50) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL13539979 0.92 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
EP-3255692-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-07-05 EP disclosed
EP-3282496-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-04-26 EP disclosed
EP-3244465-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-04-20 EP disclosed
EP-3244464-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-02-23 EP disclosed
EP-3904361-A2 BORON CONTAINING COMPOUNDS Merck Patent GmbH (DE) 2021-11-03 EP disclosed
US-11158813-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-10-26 US disclosed
US-11158811-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-10-26 US disclosed
EP-3052505-B1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2021-06-23 EP disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
EP-2383816-A1 Organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2011-11-02 EP disclosed
WO-2011110262-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed
US-20110073852-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-03-31 US disclosed
US-20110073852-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2299509-A1 ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2011-03-23 EP disclosed
WO-2010115498-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007065678-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINIESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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-11158813-B2 Organic electroluminescent device KCNN2, SLC7A5, KCNH3 SLC6A2 290/4885SLC6A4 284/4885SLC6A3 328/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 SLC6A2 2243/4885SLC6A4 2877/4885SLC6A3 1880/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 SLC6A2 2149/4885SLC6A4 3969/4885SLC6A3 3363/4885
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices ANXA2, ANXA7, ANXA1 SLC6A2 2425/4885SLC6A4 2818/4885SLC6A3 3521/4885

“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.