SCHEMBL4940046

SCHEMBL4940046

CC(Cn1cccn1)C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
TSHR P16473 2/20 0.41
OPRL1 P41146 3/20 0.40
NLRP3 Q96P20 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
USP19 O94966 1/20 0.33
NR4A2 P43354 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL13442958 0.81 FDPS (0.51) FDPSTSHROPRL1NLRP3HDAC1
SCHEMBL4791740 0.81 FDPS (0.51) FDPSTSHRNLRP3HDAC1HDAC6
SCHEMBL846777 0.81 FDPS (0.51) FDPSTSHRNLRP3HDAC1HDAC6
SCHEMBL4797265 0.79 FDPS (0.50) FDPSTSHRNLRP3HDAC1HDAC6
SCHEMBL16029636 0.77 NLRP3 (0.51) FDPSTSHRNLRP3HDAC1HDAC6
SCHEMBL18231656 0.72
SCHEMBL11189962 0.72
SCHEMBL34468064 0.72
SCHEMBL2162547 0.72
SCHEMBL17399639 0.72 CCNC (0.41) FDPSTSHRHDAC1HDAC6KMT2A

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 3 patents. 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
CN-101198606-A Alpha-(aryl-or heteroaryl-methyl)-beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER JAPAN INC (US) 2008-06-11 CN claimed
CN-101198606-A Alpha-(aryl-or heteroaryl-methyl)-beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER JAPAN INC (US) 2008-06-11 CN 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 (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 FDPS 4635/4885TSHR 933/4885OPRL1 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.