SCHEMBL4900212

SCHEMBL4900212

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.36
MCHR1 Q99705 3/20 0.34
ADRA1A P35348 1/20 0.34
NAMPT P43490 1/20 0.32
TSHR P16473 1/20 0.31
AVPR1A P37288 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
SCHEMBL4898569 0.90 OPRL1 (0.36) OPRL1MCHR1ADRA1ANAMPT
SCHEMBL4932624 0.90 OPRL1 (0.46) OPRL1MCHR1ADRA1ANAMPT
SCHEMBL4897645 0.89 ADRA1A (0.37) OPRL1MCHR1ADRA1ATSHRAVPR1A
SCHEMBL4754560 0.87 OPRL1 (0.43) OPRL1NAMPT
Citric Acid SCHEMBL4932708 0.85 OPRL1 (0.41) OPRL1MCHR1ADRA1A
SCHEMBL4981222 0.83 OPRL1 (0.53) OPRL1MCHR1ADRA1AAVPR1A
SCHEMBL4808544 0.80 OPRL1 (0.43) OPRL1MCHR1ADRA1ATSHR
SCHEMBL4935988 0.79 OPRL1 (0.47) OPRL1MCHR1ADRA1AAVPR1A
SCHEMBL4898388 0.79 ADRA1A (0.37) OPRL1MCHR1ADRA1AAVPR1A
SCHEMBL4900315 0.79 OPRL1 (0.40) 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 4 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-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-28 US disclosed
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 336/4885ADRA1A 36/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885MCHR1 288/4885ADRA1A 43/4885

“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.