SCHEMBL4947330

SCHEMBL4947330

CN(C)C(=O)C(CN1C2CCC1CC1(CCc3ccc(F)cc31)C2)Cn1cccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.44
IDH1 O75874 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NAMPT P43490 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA1A P35348 2/20 0.31
MCHR1 Q99705 2/20 0.31
CTSS P25774 1/20 0.30
CHRNA7 P36544 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
SCHEMBL4932624 0.85 OPRL1 (0.46) OPRL1IDH1NAMPTHRH3ADRA1A
SCHEMBL4936588 0.83 OPRL1 (0.53) OPRL1NAMPTADRA1AMCHR1
Citric Acid SCHEMBL4932708 0.79 OPRL1 (0.41) OPRL1ADRA1AMCHR1
SCHEMBL4939794 0.78 OPRL1 (0.56) OPRL1ADRA1AMCHR1
Citric Acid SCHEMBL4932379 0.77 OPRL1 (0.47) OPRL1ADRA1AMCHR1
SCHEMBL4935988 0.76 OPRL1 (0.47) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4978409 0.76 OPRL1 (0.71) OPRL1
SCHEMBL4900212 0.74 OPRL1 (0.36) OPRL1NAMPTADRA1AMCHR1
SCHEMBL4978093 0.74 OPRL1 (0.59) OPRL1ALDH1A1ADRA1AMCHR1
SCHEMBL4978088 0.74 OPRL1 (0.59) OPRL1ALDH1A1ADRA1AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885IDH1 2168/4885KMT2A 1091/4885

“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.