SCHEMBL14281158

SCHEMBL14281158

CCCN1c2ccccc2Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 4/20 0.57
ADRA2C P18825 4/20 0.57
ADRA2A P08913 2/20 0.57
LMNA P02545 3/20 0.47
SLC6A4 P31645 5/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 3/20 0.47
SLC6A2 P23975 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 3/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
DRD4 P21917 3/20 0.47
SLC22A2 O15244 2/20 0.47
SLC22A1 O15245 2/20 0.47
SLC22A3 O75751 2/20 0.47
HTR2C P28335 2/20 0.47
ADRA1A P35348 2/20 0.47

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
SCHEMBL19656193 0.88 CHRM2 (0.54) ADRA2BADRA2CADRA2ALMNASLC6A4
SCHEMBL22018905 0.88 HTR2A (0.61) ADRA2BADRA2CADRA2ALMNASLC6A4
SCHEMBL20383138 0.87 HTR2A (0.53) ADRA2BADRA2CADRA2ALMNASLC6A4
SCHEMBL7708386 0.86 HTR7 (0.51) ADRA2BADRA2CADRA2ALMNASLC6A4
SCHEMBL28232463 0.85 ADRA2A (0.48) ADRA2BADRA2CADRA2ALMNASLC6A4
SCHEMBL590887 0.85 ALDH1A1 (0.54) ADRA2BADRA2CLMNASLC6A4DRD2
SCHEMBL344854 0.85 ALDH1A1 (0.54) ADRA2BADRA2CLMNASLC6A4DRD2
SCHEMBL8240109 0.85 HTR7 (0.57) ADRA2BADRA2CADRA2ADRD2DRD3
SCHEMBL29643502 0.85 ALDH1A1 (0.54) ADRA2BADRA2CLMNASLC6A4DRD2
SCHEMBL9833997 0.85 ADRA2B (0.51) ADRA2BADRA2CADRA2ALMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170047526-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-16 US disclosed
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 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 (1 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-20170047526-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ADRA2B 3570/4885ADRA2C 3107/4885ADRA2A 3347/4885

“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.