SCHEMBL4787506

SCHEMBL4787506

CCCCN(C)c1ccc2c(c1)C(Nc1cccc(Cl)c1)CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.56
ACHE P22303 5/20 0.37
BACE1 P56817 2/20 0.36
HTR7 P34969 1/20 0.35
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
EPHX1 P07099 3/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
EPHX2 P34913 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL4786817 0.83 FADS1 (0.59) FADS1ACHEBACE1HTR7KDM1A
SCHEMBL4787090 0.81 FADS1 (0.50) FADS1ACHE
SCHEMBL4787131 0.79 FADS1 (0.51) FADS1ACHEKDM1AMAOAMAOB
SCHEMBL4805296 0.78 FADS1 (0.78) FADS1BACE1KDM1AMAOAMAOB
SCHEMBL4785224 0.78 FADS1 (0.78) FADS1BACE1KDM1AMAOAMAOB
SCHEMBL4785195 0.78 FADS1 (0.57) FADS1ACHEBACE1KDM1AMAOA
SCHEMBL4785262 0.76 FADS1 (0.71) FADS1BACE1KDM1AMAOAMAOB
SCHEMBL4740962 0.74 FADS1 (0.71) FADS1BACE1KDM1AMAOAMAOB
SCHEMBL4740963 0.74 FADS1 (0.71) FADS1BACE1KDM1AMAOAMAOB
SCHEMBL4797343 0.73 FADS1 (0.66) FADS1KDM1AMAOAMAOB

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 1059/4885ACHE 13/4885BACE1 2861/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885ACHE 449/4885BACE1 3971/4885

“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.