SCHEMBL4805296

SCHEMBL4805296

Clc1cccc(NC2CCc3ccc(Cl)cc32)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.78
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
BACE1 P56817 3/20 0.46
BACE2 Q9Y5Z0 2/20 0.42
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL4785224 1.00 FADS1 (0.78) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4785262 0.89 FADS1 (0.71) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4740963 0.89 FADS1 (0.71) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4740962 0.89 FADS1 (0.71) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4935777 0.88 FADS1 (1.00) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4741426 0.86 FADS1 (0.67) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4797343 0.85 FADS1 (0.66) FADS1KDM1AMAOAMAOBLMNA
SCHEMBL4935956 0.80 FADS1 (0.59) FADS1BACE1LMNAMEN1KMT2A
SCHEMBL4741004 0.80 FADS1 (0.58) FADS1KDM1AMAOAMAOBBACE1
SCHEMBL4786817 0.78 FADS1 (0.59) FADS1KDM1AMAOAMAOBBACE1

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 7 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-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885KDM1A 4009/4885MAOA 2276/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885KDM1A 2417/4885MAOA 2611/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDM1A 3675/4885MAOA 1004/4885

“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.