SCHEMBL4069042

SCHEMBL4069042

Cc1cc(F)ccc1Oc1ccc(N(C=O)c2c(C)cccc2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.41
AVPR1A P37288 2/20 0.41
MAPK14 Q16539 3/20 0.41
KEAP1 Q14145 1/20 0.39
HSPB1 P04792 1/20 0.38
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL4060882 0.90 OXTR (0.40) OXTRAVPR1AMAPK14KEAP1HSPB1
SCHEMBL4061676 0.88 MEN1 (0.46) OXTRAVPR1AKEAP1SLC6A4KDM4E
SCHEMBL4069077 0.86 CYP1A2 (0.41) KEAP1SLC6A4MEN1KMT2AL3MBTL1
SCHEMBL4067560 0.79 KMT2A (0.42) OXTRAVPR1AKEAP1SLC6A4MEN1
SCHEMBL4066243 0.79 CYP1A2 (0.40) SLC6A4MEN1KMT2AL3MBTL1MRGPRX4
SCHEMBL4061081 0.77 KDM4E (0.33) OXTRKEAP1KDM4EMEN1KMT2A
SCHEMBL4073212 0.71 CYP1A2 (0.41) SLC6A4KDM4EMEN1KMT2AALDH1A1
SCHEMBL4070182 0.71 KEAP1 (0.60) OXTRAVPR1AMAPK14KEAP1HSPB1
SCHEMBL4065333 0.70 HTR2C (0.48) PIK3CANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4251390 0.69 MRGPRX4 (0.50) OXTRMAPK14HSPB1L3MBTL1MRGPRX4

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 13 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 claimed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP claimed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US claimed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US claimed
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 OXTR 4329/4885AVPR1A 1865/4885MAPK14 1128/4885

“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.