SCHEMBL2609913

SCHEMBL2609913

CC1(C)c2ccccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc4ccccc4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
PDK2 Q15119 4/20 0.35
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL17807019 0.96 CYP2A6 (0.35) CYP2A6PDK2KDM1ARCOR1MAPK1
SCHEMBL20664614 0.92 PDK2 (0.39) PDK2CYP1A2MAPK1MLNRNR1I2
SCHEMBL1205863 0.92 PDK2 (0.39) PDK2CYP1A2MAPK1MLNRNR1I2
SCHEMBL15178611 0.92 PDK2 (0.39) CYP2A6PDK2CYP1A2MLNRNR1I2
SCHEMBL24646511 0.92 PDK2 (0.39) CYP2A6PDK2CYP1A2MLNRNR1I2
SCHEMBL29508630 0.91 PDK2 (0.37) CYP2A6PDK2MLNRNR1I2CHRM2
SCHEMBL23660582 0.91 PDK2 (0.37) CYP2A6PDK2MLNRNR1I2CHRM2
SCHEMBL15306335 0.91 PDK2 (0.40) CYP2A6PDK2CYP1A2MLNRNR1I2
SCHEMBL905098 0.90 PDK2 (0.35) CYP2A6PDK2
SCHEMBL15906989 0.90 CYP2A6 (0.41) CYP2A6PDK2KDM1ARCOR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2023-02-23 US disclosed
US-11271175-B2 Organic electronic element comprising compound for organic electronic element, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-03-08 US disclosed
US-20200235314-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-23 US disclosed
US-9741949-B2 Amine-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-22 US disclosed
US-9741949-B2 Amine-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-22 US disclosed
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 US disclosed
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed
WO-2016003202-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 WO disclosed
US-9224961-B2 Condensed-cyclic compound, organic light-emitting diode comprising the same and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-29 US disclosed
US-9224961-B2 Condensed-cyclic compound, organic light-emitting diode comprising the same and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-29 US disclosed
US-20140209878-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209878-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20120097932-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND FLAT PANEL DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097932-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND FLAT PANEL DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 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 (3 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-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE ORC3, ODC1, CRY1 CYP2A6 1515/4885PDK2 1123/4885KDM1A 1227/4885
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME OR51E2, OR10J3, ORAI2 CYP2A6 2487/4885PDK2 2999/4885KDM1A 708/4885
US-20120097932-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND FLAT PANEL DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DIODE OCIAD1, OCIAD2, CFD CYP2A6 1939/4885PDK2 1453/4885KDM1A 2089/4885

“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.