SCHEMBL13069245

SCHEMBL13069245

OC[C@@H]1CCC[C@H](CO)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AGL P35573 2/20 0.30
GBA2 Q9HCG7 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
SCHEMBL2230154 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL4953344 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL4953332 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL25362077 0.87 GLA (0.33) DPP4OPRM1OPRD1
SCHEMBL19914110 0.87 GLA (0.33) DPP4OPRM1OPRD1
SCHEMBL13248929 0.87 FUCA1 (0.37) DPP4S1PR2S1PR4S1PR1S1PR3
SCHEMBL16142831 0.87
SCHEMBL2237799 0.87
Hydrochloric Acid SCHEMBL1409661 0.84 DPP4 (0.35) DPP4OPRM1OPRD1AGLGBA2
SCHEMBL2902379 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 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-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 DPP4 4432/4885OPRM1 139/4885OPRD1 1563/4885

“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.