SCHEMBL13699180

SCHEMBL13699180

CN1C2CCC1CC(Oc1ccc(C(=O)O)c(F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 3/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
CHRNA7 P36544 1/20 0.45
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 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
SCHEMBL13699142 0.85 OPRK1 (0.54) OPRK1SLC6A2SLC6A3HRH3HTR3E
SCHEMBL1431606 0.81 HRH3 (0.48) OPRK1HRH3PTGS1PTGS2MEN1
SCHEMBL1431608 0.81 HRH3 (0.48) OPRK1HRH3PTGS1PTGS2MEN1
SCHEMBL16286908 0.81 CHRM1 (0.49) OPRK1SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL16286910 0.81 CHRM1 (0.49) OPRK1SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL4170072 0.79 SLC6A3 (0.55) OPRK1SLC6A2SLC6A3HTR3ACYP2D6
SCHEMBL1177444 0.79 SLC6A3 (0.55) OPRK1SLC6A2SLC6A3HTR3ACYP2D6
SCHEMBL1177443 0.79 SLC6A3 (0.55) OPRK1SLC6A2SLC6A3HTR3ACYP2D6
SCHEMBL4170069 0.79 SLC6A3 (0.55) OPRK1SLC6A2SLC6A3HTR3ACYP2D6
SCHEMBL4236560 0.78 SLC6A2 (0.67) OPRK1SLC6A2SLC6A3HTR3EHTR3B

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.