SCHEMBL3525804

SCHEMBL3525804

CC(NC(=O)COc1ccc(Cl)cc1)C(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.53
ADAMTS4 O75173 2/20 0.53
CNR1 P21554 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CNR2 P34972 5/20 0.48
GPR34 Q9UPC5 1/20 0.48

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
SCHEMBL3530878 0.87 CNR1 (0.66) CNR1CNR2GPR34
SCHEMBL3528214 0.87 SMN1; SMN2 (0.54) CNR1SMN1; SMN2ALDH1A1POLBCNR2
SCHEMBL3524331 0.84 CNR1 (0.66) CNR1CNR2
SCHEMBL13804825 0.80 CNR1 (0.63) CNR1CNR2
SCHEMBL3529571 0.80 CNR1 (0.63) CNR1CNR2
SCHEMBL13804826 0.75 CNR1 (0.59) CNR1CNR2GPR34
SCHEMBL11335672 0.73 KMT2A (0.60) ADAMTS5SMN1; SMN2ALDH1A1GPR34
SCHEMBL11335669 0.73 KMT2A (0.60) ADAMTS5SMN1; SMN2ALDH1A1GPR34
SCHEMBL4692247 0.73 ADAMTS5 (0.54) ADAMTS5SMN1; SMN2ALDH1A1POLB
SCHEMBL4693971 0.72 THRB (0.53) ADAMTS5SMN1; SMN2ALDH1A1POLB

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 ADAMTS5 1128/4885ADAMTS4 1318/4885CNR1 1/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG ADAMTS5 1008/4885ADAMTS4 1234/4885CNR1 1/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH ADAMTS5 1128/4885ADAMTS4 1318/4885CNR1 1/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH ADAMTS5 1128/4885ADAMTS4 1318/4885CNR1 1/4885

“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.