SCHEMBL2003261

SCHEMBL2003261

CC(C)(C)[C@H]1CC[C@H](OC(=O)c2ccccc2)[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
MAPT P10636 1/20 0.47
CHRNA7 P36544 2/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SLC18A3 Q16572 1/20 0.43

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
SCHEMBL9613561 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2003265 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL4563291 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2003263 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL11982157 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2008812 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2005626 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2005623 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL27987999 0.80 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL23780837 0.78 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 EP disclosed
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2012-08-09 US disclosed
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 EP disclosed
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2011-10-20 US disclosed
US-8026222-B2 Use of oligosaccharide compound or glycomimetic compound wherein a cyclohexane derivative is incorporated therein; treating inflammatory, vascular, and skin disorders such as diabetes, atherosclerosis, dermatitis, graft versus host disease, and lymphomas GLYCOMIMETICS, INC. (US) 2011-09-27 US disclosed
US-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 US disclosed
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-08-21 US disclosed
US-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-07-03 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 (4 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-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 CHRM2 1319/4885CHRM4 997/4885CHRM1 2067/4885
US-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines FUT6, B3GNT2, FUT5 CHRM2 1064/4885CHRM4 870/4885CHRM1 1769/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 CHRM2 1064/4885CHRM4 870/4885CHRM1 1769/4885
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines FUT6, ENGASE, FUT5 CHRM2 1319/4885CHRM4 997/4885CHRM1 2067/4885

“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.