SCHEMBL1399596

SCHEMBL1399596

COC(=O)COC1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL1399597 1.00 HCRTR2 (0.38) HCRTR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL14113476 1.00 HCRTR2 (0.38) HCRTR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL1399553 0.86 HCRTR2 (0.37) HCRTR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL1399554 0.86 HCRTR2 (0.37) HCRTR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3303472 0.81 PTGS2 (0.47) ALDH1A1MAPTDGAT1
SCHEMBL3303468 0.81 PTGS2 (0.47) ALDH1A1MAPTDGAT1
SCHEMBL1399682 0.80 HDAC3 (0.40) HCRTR2ALDH1A1MAPT
SCHEMBL1399684 0.80 HDAC3 (0.40) HCRTR2ALDH1A1MAPT
SCHEMBL1399745 0.79 DGAT1 (0.51) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL1399748 0.79 DGAT1 (0.51) ALDH1A1LMNAMAPTCYP2C9DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US disclosed
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 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-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 HCRTR2 2310/4885ALDH1A1 112/4885LMNA 3400/4885
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 HCRTR2 841/4885ALDH1A1 872/4885LMNA 3562/4885

“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.