SCHEMBL13699142

SCHEMBL13699142

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(=O)O)c(Cl)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CYP2D6 P10635 4/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
CYP1A2 P05177 3/20 0.46
TSHR P16473 2/20 0.46
GMNN O75496 1/20 0.46
ALOX15 P16050 1/20 0.46
MTOR P42345 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C19 P33261 3/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL13699180 0.85 OPRK1 (0.54) OPRK1SLC6A2SLC6A3CYP2D6HTR3E
Fumaric Acid SCHEMBL1177615 0.82 OPRK1 (0.52) OPRK1SLC6A2SLC6A3CYP2D6HTR3E
SCHEMBL1177689 0.82 SLC6A2 (0.59) OPRK1SLC6A2SLC6A3CYP2D6HTR3E
SCHEMBL1177951 0.82 SLC6A2 (0.59) OPRK1SLC6A2SLC6A3CYP2D6HTR3E
SCHEMBL1177691 0.82 SLC6A2 (0.59) OPRK1SLC6A2SLC6A3CYP2D6HTR3E
SCHEMBL21434667 0.82 HRH1 (0.50) SLC6A2SLC6A3TSHRHRH1CCR3
SCHEMBL1431959 0.81 HRH3 (0.52) LMNAHRH1CCR3HRH3MEN1
SCHEMBL1431961 0.81 HRH3 (0.52) LMNAHRH1CCR3HRH3MEN1
SCHEMBL3416691 0.81 MAOB (0.54) TSHRHRH1CCR3HRH3
Fumaric Acid SCHEMBL1177491 0.80 OPRK1 (0.49) OPRK1SLC6A2SLC6A3CYP2D6HTR3E

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R OPRK1 124/4885SLC6A2 331/4885SLC6A3 665/4885

“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.