SCHEMBL3527995

SCHEMBL3527995

CCC(C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.58
CNR2 P34972 11/20 0.58
FDFT1 P37268 2/20 0.56

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
SCHEMBL13804811 1.00 CNR1 (0.58) CNR1CNR2FDFT1
SCHEMBL3527229 0.85 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL13804852 0.85 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL13114182 0.84 CNR1 (0.61) CNR1CNR2FDFT1
SCHEMBL3525559 0.84 FDFT1 (0.59) CNR1CNR2FDFT1
SCHEMBL6500889 0.83 CNR1 (0.57) CNR1CNR2FDFT1
SCHEMBL13804866 0.82 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL3523314 0.82 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL5262773 0.81 CNR1 (0.72) CNR1CNR2FDFT1
SCHEMBL3524162 0.81 CNR1 (0.60) CNR1CNR2FDFT1

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 12 patents. 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-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-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
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US 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 CNR1 1/4885CNR2 2/4885FDFT1 2654/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885FDFT1 3461/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885FDFT1 2654/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885FDFT1 2654/4885

“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.