SCHEMBL4249475

SCHEMBL4249475

COc1ccc(CC(O)CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SLC6A4 P31645 1/20 0.58
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
LDHA P00338 1/20 0.55
TAAR1 Q96RJ0 1/20 0.52
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAOB P27338 1/20 0.47
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
Hydrochloric Acid SCHEMBL1403833 0.98 POLB (0.58) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL5859651 0.88 LDHA (0.62) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL1815225 0.82 POLB (0.57) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2481968 0.82 POLB (0.57) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL1551932 0.81 POLB (0.55) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL28222288 0.81 PPARG (0.63) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL1551930 0.81 POLB (0.55) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL10678215 0.80 SLC6A4 (0.68) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2334749 0.79 SLC6A4 (0.67) POLBSLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL14402484 0.79 POLB (0.54) POLBSLC6A4CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135526-A1 ALPHA-MERCAPTO-AMIDES NOVARTIS AG (CH) 2009-11-12 WO disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
EP-1656366-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005019202-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2005-03-03 WO disclosed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 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-20050043301-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 POLB 2945/4885SLC6A4 4575/4885CYP2D6 1800/4885

“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.