SCHEMBL14452012

SCHEMBL14452012

CNC(CN1CCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GFER P55789 2/20 0.43
MITF O75030 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
RPS6KB1 P23443 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
LTA4H P09960 1/20 0.41
OPRK1 P41145 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5559778 0.96 ALDH1A1 (0.46) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL5844785 0.96 ALDH1A1 (0.46) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL5559775 0.96 ALDH1A1 (0.46) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL9677137 0.95 ALDH1A1 (0.45) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL14452757 0.95 ALDH1A1 (0.45) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL17574260 0.95 ALDH1A1 (0.45) GAAALDH1A1GFERMITFSMN1; SMN2
SCHEMBL2953080 0.87 UTS2R (0.44) LTA4HOPRK1
SCHEMBL1541502 0.86 GAA (0.61) GAAALDH1A1GFERKDM4EL3MBTL1
SCHEMBL1239640 0.85 POLB (0.50) ALDH1A1MITFSMN1; SMN2HTTATM
SCHEMBL14438347 0.84 ALDH1A1 (0.45) GAAALDH1A1GFERMITFSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 GAA 955/4885ALDH1A1 2070/4885GFER 3263/4885

“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.