SCHEMBL805919

SCHEMBL805919

COc1ccc2c(c1)oc(=O)n2C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
ADRA1B P35368 2/20 0.52
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MPI P34949 1/20 0.44
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
HSD11B1 P28845 1/20 0.43
PRKDC P78527 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8669312 0.88 ADRA1D (0.50) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8067642 0.88 CHRM2 (0.58) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL804740 0.81 ADRA1D (0.50) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL16601606 0.75 ADRA1D (0.52) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8296662 0.74 L3MBTL1 (0.60) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12124607 0.73
SCHEMBL29999740 0.73 KDM4E (0.47) CBX7CDYL2CDYLALDH1A1KDM4E
SCHEMBL30665899 0.73 HSD11B1 (0.41) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL26654758 0.73 HSD11B1 (0.41) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL13341124 0.71 TNKS (0.44) ADRA1DADRA1AADRA1BCHRM2CHRM4

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C ADRA1D 603/4885ADRA1A 628/4885ADRA1B 584/4885

“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.