SCHEMBL4897645

SCHEMBL4897645

O=C(O)C(CN1C2CCC1CC1(C2)OCc2ccccc21)Cn1cccn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.37
MCHR1 Q99705 1/20 0.37
OPRL1 P41146 3/20 0.36
AVPR1A P37288 12/20 0.35
TSHR P16473 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
SCHEMBL4808544 0.91 OPRL1 (0.43) ADRA1AMCHR1OPRL1TSHR
SCHEMBL4900212 0.89 OPRL1 (0.36) ADRA1AMCHR1OPRL1AVPR1ATSHR
SCHEMBL4898388 0.89 ADRA1A (0.37) ADRA1AMCHR1OPRL1AVPR1A
SCHEMBL4935988 0.89 OPRL1 (0.47) ADRA1AMCHR1OPRL1AVPR1A
Citric Acid SCHEMBL4936359 0.84 OPRL1 (0.42) ADRA1AMCHR1OPRL1AVPR1A
SCHEMBL4754560 0.82 OPRL1 (0.43) OPRL1
SCHEMBL4939794 0.81 OPRL1 (0.56) ADRA1AMCHR1OPRL1
SCHEMBL4899679 0.81 OPRL1 (0.43) OPRL1
SCHEMBL4932624 0.79 OPRL1 (0.46) ADRA1AMCHR1OPRL1
SCHEMBL4898569 0.79 OPRL1 (0.36) ADRA1AMCHR1OPRL1

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 ADRA1A 36/4885MCHR1 336/4885OPRL1 1/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 ADRA1A 43/4885MCHR1 288/4885OPRL1 1/4885

“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.