SCHEMBL4432572

SCHEMBL4432572

CCOC(=O)CN(CCOC)C(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 3/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ MLYCD O95822 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALOX15 P16050 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL19820844 0.84 SLC6A2 (0.32) GAAMGAMSIMGAM2SLC6A2
SCHEMBL31022630 0.80 CA12 (0.36) CA12CA1CA2CA9CYP1A2
SCHEMBL19820850 0.76 POLB (0.35) GAAMGAMSIMGAM2SLC6A2
SCHEMBL13832301 0.75 CA12 (0.47) CA12CA1CA2CA9CYP1A2
SCHEMBL9376548 0.75 NLRP3 (0.39) GAAALDH1A1MLYCDSMN1; SMN2ALOX12
SCHEMBL16757633 0.74 ALDH1A1 (0.37) SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL9369588 0.72 KMT2A (0.40) CYP1A2GAASLC6A2SLC6A4ALDH1A1
SCHEMBL14196596 0.72 CA12 (0.40) CA12CA1CA2CA9CYP1A2
SCHEMBL25693305 0.71 CA12 (0.60) CA12CA1CA2CA9CYP1A2
SCHEMBL17011270 0.70 MLYCD (0.35) SLC6A2SLC6A4MLYCDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 — — US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 — — EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 — — 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 (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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 CA12 953/4885CA1 1081/4885CA2 775/4885

“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.

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