SCHEMBL4433228

SCHEMBL4433228

CCOC(=O)CN(Cc1ccccc1)C(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
ALOX5 P09917 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
ESR1 P03372 1/20 0.44
NR4A1 P22736 1/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
PPID Q08752 1/20 0.43

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
SCHEMBL3213534 0.88 ALDH1A1 (0.55) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5941081 0.88 PIN1 (0.56) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL691909 0.87 SMN1; SMN2 (0.56) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9686760 0.87 PIN1 (0.53) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3213531 0.85 PIN1 (0.52) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3211799 0.85 PIN1 (0.52) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL15173708 0.85 PIN1 (0.54) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL15173707 0.84 PIN1 (0.53) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL22144166 0.83 PIN1 (0.50) PIN1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3211795 0.83 PIN1 (0.50) PIN1ALDH1A1SMN1; SMN2LMNAPOLB

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 PIN1 651/4885ALDH1A1 304/4885SMN1; SMN2 2612/4885

“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.