SCHEMBL282964

SCHEMBL282964

C[C@H](c1ccccc1)N1C[C@@H](CO)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.51
KMT2A Q03164 1/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSD11B1 P28845 3/20 0.44
MAPK1 P28482 1/20 0.42
GRM2 Q14416 3/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL282965 1.00 HTR2B (0.51) HTR2BKMT2AMAOAMAOBHSD11B1
SCHEMBL14168243 1.00 HTR2B (0.51) HTR2BKMT2AMAOAMAOBHSD11B1
SCHEMBL14168088 0.86 HTR2B (0.51) HTR2BKMT2AHSD11B1GRM2CYP2D6
SCHEMBL15792865 0.82 HTR2B (0.51) HTR2BKMT2AHSD11B1GRM2CYP2D6
SCHEMBL15793093 0.82 HTR2B (0.51) HTR2BKMT2AHSD11B1GRM2CYP2D6
SCHEMBL15793166 0.82 HTR2B (0.51) HTR2BKMT2AHSD11B1GRM2CYP2D6
Hydrochloric Acid SCHEMBL15792711 0.81 HTR2B (0.50) HTR2BKMT2AHSD11B1MAPK1GRM2
SCHEMBL14168007 0.79 HTR2B (0.46) HTR2BKMT2AHSD11B1MAPK1GRM2
SCHEMBL14168247 0.79 HTR2B (0.46) HTR2BKMT2AHSD11B1GRM2CYP2D6
SCHEMBL6214722 0.78 HTR2B (0.47) HTR2BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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 (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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R HTR2B 113/4885KMT2A 2998/4885MAOA 821/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R HTR2B 113/4885KMT2A 2998/4885MAOA 821/4885

“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.