SCHEMBL2248064

SCHEMBL2248064

C[C@@H]1C[C@H](COC2CN(c3ncc4c(n3)CCN(S(C)(=O)=O)C4)C2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
IDH1 O75874 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL12367369 1.00 TMEM97 (0.38) TMEM97SIGMAR1IDH1HDAC1HDAC2
SCHEMBL12356488 1.00 TMEM97 (0.38) TMEM97SIGMAR1IDH1HDAC1HDAC2
SCHEMBL2248384 0.89 GRIN2B (0.42) TMEM97SIGMAR1CYP2C9CHRM4
SCHEMBL3398221 0.88 GPR119 (0.35) CHRM4CHRM2CHRM1CHRM3
SCHEMBL2248067 0.79 ALDH1A1 (0.34) CHRM4CHRM2CHRM1CHRM3
SCHEMBL2246139 0.73 GRIN2B (0.42) CYP2C9
SCHEMBL2247536 0.70 MAPT (0.31)
SCHEMBL12356487 0.70 GPR119 (0.39) CYP2C9
SCHEMBL2246273 0.70 GPR119 (0.39) CYP2C9
SCHEMBL23071052 0.68 HTR2C (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US claimed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 TMEM97 124/4885SIGMAR1 716/4885IDH1 4686/4885

“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.