SCHEMBL4898569

SCHEMBL4898569

CCOC(=O)C(CN1C2CCC1CC1(C2)OCc2ccc(F)cc21)Cn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 2/20 0.35
MCHR1 Q99705 3/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
IDH1 O75874 1/20 0.32
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL4900212 0.90 OPRL1 (0.36) OPRL1MCHR1ADRA1ANAMPT
SCHEMBL4898388 0.90 ADRA1A (0.37) OPRL1NLRP3MCHR1ADRA1A
SCHEMBL4932624 0.89 OPRL1 (0.46) OPRL1MCHR1ADRA1AIDH1NAMPT
SCHEMBL4668777 0.88 OPRL1 (0.40) OPRL1POLBHTTNLRP3MAPT
SCHEMBL4979817 0.84 OPRL1 (0.52) OPRL1POLBHTTNLRP3MCHR1
Citric Acid SCHEMBL4932708 0.82 OPRL1 (0.41) OPRL1MCHR1ADRA1A
SCHEMBL4899679 0.82 OPRL1 (0.43) OPRL1NLRP3OPRM1OPRD1
SCHEMBL4896296 0.81 OPRL1 (0.39) OPRL1OPRM1ALDH1A1
SCHEMBL4897645 0.79 ADRA1A (0.37) OPRL1MCHR1ADRA1A
SCHEMBL4935988 0.78 OPRL1 (0.47) OPRL1MCHR1ADRA1A

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-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

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 OPRL1 1/4885POLB 2695/4885HTT 2703/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885POLB 3253/4885HTT 3174/4885

“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.