SCHEMBL13699100

SCHEMBL13699100

CN1C2CCC1CC(Oc1ccc(C(=O)O)cc1F)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.57
OPRM1 P35372 2/20 0.57
KCNH2 Q12809 2/20 0.57
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
CYP2D6 P10635 5/20 0.52
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
CHRNA7 P36544 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP1A2 P05177 2/20 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
SCHEMBL13699186 0.84 CYP2D6 (0.69) OPRK1LMNAHTTCYP2D6HTR3E
SCHEMBL4232405 0.84 CYP2D6 (0.52) OPRK1OPRM1KCNH2LMNACYP2D6
SCHEMBL1431782 0.82 OPRM1 (0.50) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL1431784 0.82 OPRM1 (0.50) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL1749280 0.82 LMNA (0.52) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL15905013 0.80 PDE4D (0.57) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL1750158 0.80 LMNA (0.57) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL4236560 0.79 SLC6A2 (0.67) OPRK1KCNH2LMNACYP2D6HTR3E
SCHEMBL1749072 0.79 HTT (0.49) OPRK1OPRM1KCNH2LMNAMAPK1
SCHEMBL4176415 0.78 SLC6A3 (0.53) OPRK1OPRM1KCNH2CYP2D6HTR3A

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 124/4885OPRM1 179/4885KCNH2 1304/4885

“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.