SCHEMBL13367676

SCHEMBL13367676

CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.50
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL22052386 0.94 PDK2 (0.48) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17853029 0.94 PDK2 (0.48) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL12715081 0.93 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL14499258 0.93 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL14466527 0.92 PDK2 (0.50) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL12715083 0.91 PDK2 (0.49) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL14465389 0.90 PDK2 (0.51) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL12249596 0.89 PDK2 (0.62) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL24751092 0.89 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL10038928 0.89 PDK2 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 EP disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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 (2 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 PDK2 2885/4885MLNR 4291/4885NR1I2 805/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 PDK2 888/4885MLNR 3992/4885NR1I2 25/4885

“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.