SCHEMBL4669598

SCHEMBL4669598

CCOC(=O)N1C2CCC1CC(O)(c1cc(F)ccc1CO)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM1 P11229 6/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL4668729 0.85 GRM5 (0.46) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4900008 0.76 GRM5 (0.45) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4668361 0.75 GRM5 (0.47) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4886864 0.73 GRM5 (0.43) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12896679 0.72 CHRM1 (0.46) GRM5CHRM1SMN1; SMN2HTTMEN1
SCHEMBL14081574 0.72 GRM5 (0.53) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2877584 0.71 CHRM2 (0.44) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4983052 0.70 L3MBTL1 (0.56) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL15304325 0.68 GRM5 (0.49) GRM5ALDH1A1CHRM1TDP1CHRM4
SCHEMBL5247939 0.67 GRM5 (0.47) GRM5ALDH1A1CYP1A2CYP3A4CYP2C19

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-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-28 US disclosed
US-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-21 US disclosed
EP-1896479-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2008-03-12 EP disclosed
EP-1893610-A2 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
WO-2006134486-A2 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 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 (2 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-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists OPRL1, OPRD1, OGFRL1 GRM5 267/4885ALDH1A1 584/4885CYP1A2 1461/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 GRM5 219/4885ALDH1A1 383/4885CYP1A2 975/4885

“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.