SCHEMBL4900181

SCHEMBL4900181

CC(C)(C)OC(=O)C(Cc1cscn1)CN1C2CCC1CC1(C2)OCc2ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.56
MCHR1 Q99705 1/20 0.33
SCN9A Q15858 1/20 0.31
CAPN1 P07384 1/20 0.31

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
SCHEMBL4797089 0.90 OPRL1 (0.43) OPRL1SCN9A
SCHEMBL4900056 0.89 OPRL1 (0.54) OPRL1CAPN1
SCHEMBL4695388 0.88 OPRL1 (0.59) OPRL1MCHR1CAPN1
SCHEMBL4933523 0.88 OPRL1 (0.73) OPRL1MCHR1CAPN1
Trifluoroacetic Acid SCHEMBL4900055 0.86 OPRL1 (0.56) OPRL1CAPN1
Citric Acid SCHEMBL4943418 0.83 OPRL1 (0.64) OPRL1MCHR1
SCHEMBL4980532 0.80 OPRL1 (0.69) OPRL1MCHR1
SCHEMBL4898494 0.80 OPRL1 (0.43) OPRL1CAPN1
SCHEMBL4815518 0.79 OPRL1 (0.52) OPRL1MCHR1CAPN1
SCHEMBL4980104 0.78 OPRL1 (0.65) OPRL1

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 1/4885MCHR1 336/4885SCN9A 197/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885MCHR1 288/4885SCN9A 387/4885

“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.