Sugi Predict

Sugi Predict / Compounds / SCHEMBL4080701

SCHEMBL4080701

SCHEMBL4080701

CC(NC(=O)C(C)(C)Oc1cccc(C(F)(F)F)n1)C(=O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.42
▸ FPR2 P25090 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SLC6A2 P23975 3/20 0.35
▸ CHRNA1 P02708 2/20 0.35
▸ CHRNG P07510 2/20 0.35
▸ CHRNB1 P11230 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ CHRND Q07001 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGA5 P08648 1/20 0.34

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
SCHEMBL4080705 1.00 CNR1 (0.42) CNR1FPR2SCN9ANPSR1ALDH1A1
SCHEMBL3859546 0.79 CNR1 (0.41) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30695652 0.70 CTSB (0.47) ALDH1A1SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL769683 0.68 SLC6A3 (0.68) ALDH1A1SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL30457585 0.66 SLC6A2 (0.54) ALDH1A1SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL22556886 0.64 CYP19A1 (0.52) NPSR1ALDH1A1SLC6A2CHRNA1CHRNG
SCHEMBL13020000 0.64 IDH1 (0.42) GRM5
SCHEMBL2802800 0.63 NPSR1 (0.59) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29922182 0.62 CHRNA1 (0.59) NPSR1ALDH1A1SLC6A2CHRNA1CHRNG
SCHEMBL3125040 0.62 CHRNA1 (0.59) NPSR1ALDH1A1SLC6A2CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 — — US disclosed
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-05-28 — — US disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 — — US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 — — US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 — — 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 (3 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885FPR2 1022/4885SCN9A 490/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885FPR2 1022/4885SCN9A 490/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 CNR1 1/4885FPR2 2037/4885SCN9A 653/4885

“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.