SCHEMBL4808544

SCHEMBL4808544

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.43
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CCR2 P41597 2/20 0.34
TMEM97 Q5BJF2 2/20 0.33
RIPK1 Q13546 1/20 0.31
ADRA1A P35348 1/20 0.30
MCHR1 Q99705 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
SCHEMBL4897645 0.91 ADRA1A (0.37) OPRL1TSHRADRA1AMCHR1
SCHEMBL4939794 0.90 OPRL1 (0.56) OPRL1TMEM97ADRA1AMCHR1
SCHEMBL4899679 0.90 OPRL1 (0.43) OPRL1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4754560 0.89 OPRL1 (0.43) OPRL1CCR2
Citric Acid SCHEMBL4940620 0.84 OPRL1 (0.49) OPRL1CCR2TMEM97ADRA1AMCHR1
SCHEMBL4980924 0.82 OPRL1 (0.59) OPRL1SIGMAR1CCR2
SCHEMBL4935988 0.80 OPRL1 (0.47) OPRL1ADRA1AMCHR1
SCHEMBL4898388 0.80 ADRA1A (0.37) OPRL1ADRA1AMCHR1
SCHEMBL4900212 0.80 OPRL1 (0.36) OPRL1TSHRADRA1AMCHR1
SCHEMBL4936588 0.79 OPRL1 (0.53) OPRL1ADRA1AMCHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896479-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2008-03-12 EP claimed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO claimed
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 1/4885SIGMAR1 7/4885TSHR 933/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885SIGMAR1 9/4885TSHR 1260/4885

“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.