SCHEMBL3523476

SCHEMBL3523476

CCCCCC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.61
CNR1 P21554 14/20 0.55
CNR2 P34972 9/20 0.55
ALDH1A1 P00352 3/20 0.50
ASAH1 Q13510 1/20 0.50
ACER2 Q5QJU3 1/20 0.50
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13804828 1.00 FDFT1 (0.61) FDFT1CNR1CNR2ALDH1A1ASAH1
SCHEMBL13804810 0.89 FDFT1 (0.60) FDFT1CNR1CNR2
SCHEMBL3527893 0.86 CNR1 (0.65) FDFT1CNR1CNR2
SCHEMBL13804850 0.86 CNR1 (0.65) FDFT1CNR1CNR2
SCHEMBL3530500 0.85 FDFT1 (0.58) FDFT1CNR1CNR2
SCHEMBL3527193 0.84 FDFT1 (0.57) FDFT1CNR1CNR2
SCHEMBL13804771 0.84 FDFT1 (0.57) FDFT1CNR1CNR2
SCHEMBL13804805 0.83 FDFT1 (0.56) FDFT1CNR1CNR2MEN1KMT2A
SCHEMBL3530829 0.83 FDFT1 (0.56) FDFT1CNR1CNR2MEN1KMT2A
SCHEMBL4955641 0.83 CNR1 (0.60) FDFT1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US 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 FDFT1 2654/4885CNR1 1/4885CNR2 2/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG FDFT1 3461/4885CNR1 1/4885CNR2 2/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885CNR1 1/4885CNR2 2/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885CNR1 1/4885CNR2 2/4885

“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.