SCHEMBL3133556

SCHEMBL3133556

CC(C)=Cc1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
ALDH1A1 P00352 4/20 0.36
ALOX12 P18054 2/20 0.36
GPR183 P32249 1/20 0.35
ERN1 O75460 1/20 0.34
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
LMNA P02545 4/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
PYCR1 P32322 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3135909 0.78 SIGMAR1 (0.38) NPC1RAB9AALDH1A1ERN1MAPT
SCHEMBL1310477 0.77 DGAT1 (0.39) DGAT1NPC1RAB9AALDH1A1ALOX12
SCHEMBL3134708 0.76 GABRA1 (0.46) RAB9AALDH1A1ERN1LMNAMAPT
SCHEMBL6952023 0.76 GRIN2D (0.33) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8129119 0.76 PTGS1 (0.32) TRPA1
SCHEMBL21221244 0.76 DGAT1 (0.44) DGAT1NPC1RAB9AALDH1A1GPR183
SCHEMBL18204810 0.74 MAPT (0.49) DGAT1ALDH1A1LMNAMAPTHPGD
SCHEMBL24309705 0.73 ERN1 (0.59) ALDH1A1ERN1LMNASMN1; SMN2MAPT
SCHEMBL12732543 0.73 GPR183 (0.39) DGAT1NPC1RAB9AALDH1A1ALOX12
SCHEMBL20465744 0.72 ERN1 (0.52) DGAT1ALDH1A1GPR183ERN1KDM1A

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
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US disclosed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 EP disclosed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP 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 (1 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-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds TPMT, AZI2, IDO1 DGAT1 3610/4885NPC1 1258/4885RAB9A 202/4885

“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.