SCHEMBL4063945

SCHEMBL4063945

Cc1cc(Cl)ccc1Oc1ccc(N(C)C(=O)c2ccccc2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.48
HTR2C P28335 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
GRM8 O00222 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM4 Q14833 1/20 0.41
LIPE Q05469 1/20 0.41
OXTR P30559 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AVPR1A P37288 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7547286 0.93 GPBAR1 (0.45) GPBAR1HTR2CPOLBKMT2AMEN1
SCHEMBL4062330 0.93 HTR2C (0.48) GPBAR1HTR2CKMT2AMEN1MAPT
SCHEMBL8128605 0.93 HTR2C (0.48) GPBAR1HTR2CKMT2AMEN1MAPT
SCHEMBL4065122 0.90 GPBAR1 (0.44) GPBAR1HTR2CMAPTGRM8GRM7
SCHEMBL4065181 0.78 GRM4 (0.57) KMT2AMEN1GRM8GRM7GRM4
SCHEMBL8144329 0.77 SLC6A2 (0.38) GPBAR1HTR2CKMT2AMEN1LIPE
SCHEMBL4066243 0.75 CYP1A2 (0.40) POLBKMT2AMEN1GRM8GRM7
SCHEMBL8144331 0.73 OXTR (0.36) HTR2CPOLBKMT2AMEN1GRM8
SCHEMBL4061697 0.72 GRM8 (0.55) HTR2CPOLBGRM8GRM7GRM4
SCHEMBL4062244 0.72 PNLIP (0.60) HTR2CPOLBKMT2AMEN1MAPT

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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 (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-20020035094-A1 Substituted pyridine compounds and methods of use IL1B, IL6, IL1A GPBAR1 850/4885HTR2C 2829/4885POLB 3027/4885

“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.