SCHEMBL5182178

SCHEMBL5182178

COc1cccc(C(C(=O)O)N2CCC(F)(F)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
OPRD1 P41143 1/20 0.48
HSD11B1 P28845 2/20 0.45
LMNA P02545 2/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL18920477 0.87 LMNA (0.56) OPRM1OPRK1OPRL1OPRD1LMNA
SCHEMBL14428555 0.84 L3MBTL1 (0.53) OPRM1OPRK1OPRL1OPRD1LMNA
SCHEMBL628105 0.82 LMNA (0.65) OPRM1OPRK1OPRL1OPRD1LMNA
SCHEMBL5184046 0.77 ALDH1A1 (0.46) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL22095590 0.75 ROCK2 (0.47) OPRM1MEN1GFERKMT2AALDH1A1
SCHEMBL18920528 0.75 LMNA (0.55) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL18920486 0.75 ALDH1A1 (0.62) OPRM1OPRK1OPRL1LMNACHRNA1
SCHEMBL3234103 0.74 L3MBTL1 (0.53) LMNAL3MBTL1ALDH1A1AKR1C3AKR1C2
SCHEMBL13160613 0.74 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1LMNA
SCHEMBL18920471 0.73 LMNA (0.52) LMNASLC6A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
EP-1740553-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
WO-2005100325-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS ASTRAZENECA AB (SE) 2005-10-27 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-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors TPH1, NTSR1, HTR1D OPRM1 143/4885OPRK1 89/4885OPRL1 47/4885

“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.