SCHEMBL3014579

SCHEMBL3014579

O=C1c2cc(F)ccc2Sc2ccccc2C12CCC(O)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.65
HTR2A P28223 1/20 0.65
GPR84 Q9NQS5 3/20 0.33
PDK2 Q15119 2/20 0.33
DRD2 P14416 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.32
NOX1 Q9Y5S8 1/20 0.32
KIF11 P52732 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL3010851 0.79 HTR2A (0.53) HRH1HTR2AGPR84PDK2DRD2
SCHEMBL3008328 0.79 HRH1 (1.00) HRH1HTR2APDK2TP53MAPT
SCHEMBL11245262 0.79 HTR2A (0.53) HRH1HTR2AGPR84DRD2TP53
Hydrochloric Acid SCHEMBL11251464 0.78 HTR2A (0.52) HRH1HTR2AGPR84DRD2TP53
SCHEMBL3012240 0.78 HTR2A (0.52) HRH1HTR2AGPR84DRD2TP53
SCHEMBL11250474 0.77 HTR2A (0.56) HRH1HTR2AGPR84DRD2TP53
Bromide SCHEMBL11256460 0.76 HTR2A (0.56) HRH1HTR2AGPR84DRD2TP53
SCHEMBL11317452 0.76 HTR2A (0.58) HRH1HTR2ADRD2TP53MAPT
SCHEMBL11245424 0.74 HTR2A (0.54) HRH1HTR2AGPR84DRD2TP53
SCHEMBL11256748 0.69 HTR2A (0.52) HRH1HTR2ADRD2TP53MAPT

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 596/4885GPR84 444/4885

“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.