SCHEMBL3013232

SCHEMBL3013232

O=C1c2ccccc2Cc2ccccc2C12CCC(O)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.57
MAOA P21397 1/20 0.39
HTR2A P28223 13/20 0.38
HTR2C P28335 9/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 6/20 0.38
KCNH2 Q12809 1/20 0.34
TDP2 O95551 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
MAP3K14 Q99558 1/20 0.34
SRD5A2 P31213 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL13244502 0.83 HRH1 (0.52) HRH1MAOAHTR2AHTR2CDRD2
SCHEMBL13004185 0.75 MEN1 (0.44) HRH1MAOAHTR2AHTR2CDRD2
SCHEMBL3001180 0.74 MAOA (0.47) HRH1MAOAHTR2AHTR2CDRD2
SCHEMBL3011977 0.72 MAOA (0.42) HRH1MAOAHTR2AHTR2CDRD2
SCHEMBL3766701 0.72 HTR2A (0.54) HRH1MAOAHTR2AHTR2CDRD2
SCHEMBL14707058 0.69 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL14707059 0.67 HTR2A (0.44) HTR2A
SCHEMBL23645474 0.66 MAPK1 (0.37) MAOAHTR2AKCNH2
SCHEMBL3017859 0.66 KDM1A (0.37) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL11637284 0.65 GSK3B (0.38) HRH1TDP2CASP3CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 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
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 US disclosed
EP-2178823-A1 SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR Glaxo Group Limited (GB) 2010-04-28 EP disclosed
EP-2170807-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR Glaxo Group Limited (GB) 2010-04-07 EP disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
WO-2009016084-A1 SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO 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 (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-20100190764-A1 Novel compounds HCRTR1, HCRTR2, CNR1 HRH1 382/4885MAOA 1499/4885HTR2A 596/4885
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 HRH1 4/4885MAOA 888/4885HTR2A 137/4885

“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.