SCHEMBL3525024

SCHEMBL3525024

CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CNR1 P21554 9/20 0.56
▸ CNR2 P34972 6/20 0.56
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ FABP2 P12104 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.50

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
SCHEMBL3524764 0.85 CNR1 (0.53) PPARAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4688668 0.84 CNR1 (0.61) PPARAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4691613 0.83 CNR1 (0.62) PPARAMAPTCNR1CNR2POLB
SCHEMBL2653467 0.83 CNR1 (0.62) PPARAMAPTCNR1CNR2POLB
SCHEMBL13114138 0.82 CNR1 (0.50) PPARAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4690861 0.81 CNR1 (0.63) PPARAMAPTCNR1CNR2POLB
SCHEMBL4688836 0.81 CNR1 (0.60) CNR1CNR2
SCHEMBL4688264 0.81 CNR1 (0.60) PPARAMAPTCNR1CNR2POLB
SCHEMBL11714726 0.81 PPARA (0.61) PPARAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2652057 0.80 CNR1 (0.62) CNR1CNR2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 — — EP claimed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 — — US claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — EP claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 — — US claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — WO claimed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 — — US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 — — US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 — — US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 — — EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 — — US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 — — US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 — — US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885CYP1A2 883/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885MAPT 662/4885CYP1A2 1121/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885CYP1A2 883/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885CYP1A2 883/4885

“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.

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