SCHEMBL4787090

SCHEMBL4787090

CCOC(=O)CN(C)c1ccc2c(c1)C(Nc1cccc(Cl)c1)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL4787506 0.81 FADS1 (0.56) FADS1ACHE
SCHEMBL4787088 0.80 FADS1 (0.51) FADS1SMN1; SMN2HSD17B10MAPTTRPV1
SCHEMBL4786817 0.79 FADS1 (0.59) FADS1GAAACHELMNA
SCHEMBL4787131 0.77 FADS1 (0.51) FADS1ACHE
SCHEMBL3168456 0.75 MAPT (0.49) SMN1; SMN2MAPTTRPV1GAAALDH1A1
SCHEMBL4785262 0.74 FADS1 (0.71) FADS1MAPTTRPV1LMNA
SCHEMBL4805296 0.73 FADS1 (0.78) FADS1LMNA
SCHEMBL4785224 0.73 FADS1 (0.78) FADS1LMNA
SCHEMBL4785195 0.73 FADS1 (0.57) FADS1ACHE
SCHEMBL4797343 0.71 FADS1 (0.66) FADS1SMN1; SMN2LMNA

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
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (2 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885SMN1; SMN2 2636/4885HSD17B10 2469/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885SMN1; SMN2 700/4885HSD17B10 121/4885

“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.