SCHEMBL4014085

SCHEMBL4014085

Cc1ccccc1CCOc1ncc(Cl)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
BRS3 P32247 1/20 0.41
HTT P42858 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR2 P41597 1/20 0.41
CCR4 P51679 1/20 0.41
CCR5 P51681 1/20 0.41
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39

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
SCHEMBL4020949 0.81 PTGER4 (0.66) PTGER4
SCHEMBL4163367 0.81 PTGER4 (0.66) PTGER4
SCHEMBL4014183 0.78 PTGER4 (0.44) SIRT2BRS3HTTMRGPRX4PPARG
SCHEMBL11452714 0.77 CYP1A2 (0.45) HTTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4012447 0.77 MCL1 (0.52) HTTMRGPRX4NPC1RAB9ATP53
SCHEMBL4013012 0.77 PTGER4 (0.55) PTGER4
SCHEMBL11453574 0.76 MEN1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1505330 0.76 PLAU (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4020114 0.76 PTGER4 (0.53) SIRT2BRS3MRGPRX4CYP2C9PPARG
Hydrochloric Acid SCHEMBL11551619 0.75 MEN1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1756043-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 SIRT2 2338/4885BRS3 123/4885HTT 1534/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 SIRT2 2230/4885BRS3 257/4885HTT 4511/4885

“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.