SCHEMBL3019360

SCHEMBL3019360

O=C1c2cc(Cl)ccc2Oc2ccccc2C12CC=CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.53
HTR2A P28223 4/20 0.53
MAPK1 P28482 1/20 0.39
DRD2 P14416 6/20 0.38
DRD4 P21917 6/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 3/20 0.38
HTR1A P08908 3/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
DRD1 P21728 3/20 0.38
SLC6A2 P23975 3/20 0.38
HTR2C P28335 3/20 0.38

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
SCHEMBL11238888 0.83 HRH1 (0.53) HRH1HTR2AMAPK1DRD2DRD4
SCHEMBL3006513 0.82 HRH1 (0.52) HRH1HTR2AMAPK1DRD2DRD4
Bromide SCHEMBL11474411 0.82 HRH1 (0.52) HRH1HTR2AMAPK1DRD2DRD4
SCHEMBL11248897 0.81 HRH1 (0.56) HRH1HTR2AMAPK1DRD2DRD4
Bromide SCHEMBL11473841 0.80 HRH1 (0.56) HRH1HTR2AMAPK1DRD2DRD4
SCHEMBL11315886 0.78 HTR2A (0.54) HRH1HTR2AMAPK1DRD2DRD4
SCHEMBL11277843 0.78 HRH1 (0.54) HRH1HTR2AMAPK1DRD2DRD4
Bromide SCHEMBL11482097 0.78 HTR2A (0.53) HRH1HTR2AMAPK1DRD2DRD4
SCHEMBL11490180 0.76 HTR2A (0.54) HRH1HTR2ADRD2DRD4CYP1A2
Bromide SCHEMBL11245480 0.76 HTR2A (0.52) HRH1HTR2ADRD2DRD4CYP1A2

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
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 US disclosed
WO-2009016084-A1 SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 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 (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-20100190764-A1 Novel compounds HCRTR1, HCRTR2, CNR1 HRH1 382/4885HTR2A 596/4885MAPK1 947/4885

“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.