SCHEMBL4874167

SCHEMBL4874167

COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc(OC(C)(C)C(=O)O)cc4C3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.54
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARD Q03181 5/20 0.46
PPARG P37231 3/20 0.46
MAPT P10636 1/20 0.45
ABCB1 P08183 2/20 0.44
CNR1 P21554 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4878373 0.96 PPARA (0.54) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4875329 0.94 CNR1 (0.51) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4874131 0.93 PPARA (0.55) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4877901 0.93 PPARA (0.55) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4876902 0.93 PPARA (0.46) PPARAPOLBL3MBTL1PPARDMAPT
SCHEMBL4879685 0.92 PPARA (0.56) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4872840 0.92 PPARA (0.58) PPARAPPARDPPARGALDH1A1
SCHEMBL14197489 0.90 CNR1 (0.51) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4874680 0.88 PPARA (0.49) PPARAPOLBL3MBTL1PPARDPPARG
SCHEMBL4867536 0.88 PPARA (0.58) PPARAPPARDPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP claimed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US claimed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US claimed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 WO claimed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO disclosed
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 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-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD PPARA 1/4885POLB 2223/4885L3MBTL1 2871/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885POLB 2310/4885L3MBTL1 703/4885

“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.