SCHEMBL3018909

SCHEMBL3018909

C=CCC1(CC=C)C(=O)c2cc(F)ccc2Sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
GPR84 Q9NQS5 3/20 0.36
NOX1 Q9Y5S8 1/20 0.35
PGR P06401 2/20 0.34
DRD2 P14416 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 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
PDK2 Q15119 1/20 0.31
HSD11B1 P28845 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3006186 0.76 PARP1 (0.37) HTR2APGRMAPTCA1CA2
SCHEMBL3010851 0.73 HTR2A (0.53) HTR2AHRH1GPR84NOX1DRD2
SCHEMBL3012240 0.72 HTR2A (0.52) HTR2AHRH1GPR84NOX1DRD2
SCHEMBL11245262 0.70 HTR2A (0.53) HTR2AHRH1GPR84NOX1DRD2
Hydrochloric Acid SCHEMBL11251464 0.69 HTR2A (0.52) HTR2AHRH1GPR84NOX1DRD2
SCHEMBL11250474 0.68 HTR2A (0.56) HTR2AHRH1GPR84DRD2TP53
SCHEMBL1927827 0.68 PDK2 (0.39) HTR2APGRCA1CA2CA7
Bromide SCHEMBL11256460 0.68 HTR2A (0.56) HTR2AHRH1GPR84DRD2TP53
SCHEMBL10052955 0.68 DRD2 (0.38) HTR2AHRH1GPR84NOX1DRD2
SCHEMBL3014579 0.67 HRH1 (0.65) HTR2AHRH1GPR84NOX1DRD2

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 HTR2A 596/4885HRH1 382/4885GPR84 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.