SCHEMBL4899679

SCHEMBL4899679

CCOC(=O)C(CN1C2CCC1CC1(C2)OCCc2ccccc21)Cn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.43
NLRP3 Q96P20 2/20 0.38
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34
OGA O60502 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CCR2 P41597 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL4898388 0.91 ADRA1A (0.37) OPRL1NLRP3KCNH2GRIN2B
SCHEMBL4808544 0.90 OPRL1 (0.43) OPRL1TMEM97CCR2OPRM1OPRD1
SCHEMBL4668777 0.90 OPRL1 (0.40) OPRL1NLRP3OGACCR2OPRM1
SCHEMBL4939794 0.88 OPRL1 (0.56) OPRL1TMEM97
SCHEMBL4975684 0.83 OPRL1 (0.58) OPRL1NLRP3CCR2SIGMAR1
SCHEMBL4898569 0.82 OPRL1 (0.36) OPRL1NLRP3OPRM1OPRD1
Citric Acid SCHEMBL4940620 0.81 OPRL1 (0.49) OPRL1TMEM97CCR2
SCHEMBL4897645 0.81 ADRA1A (0.37) OPRL1
SCHEMBL4935988 0.79 OPRL1 (0.47) OPRL1
SCHEMBL4754560 0.79 OPRL1 (0.43) OPRL1CCR2

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 1/4885NLRP3 280/4885KCNH2 490/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885NLRP3 231/4885KCNH2 1007/4885

“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.