SCHEMBL5411477

SCHEMBL5411477

CN1CC2(CCN(C(=O)O)CC2)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.46
SIGMAR1 Q99720 2/20 0.46
AKT1 P31749 2/20 0.46
GNRHR P30968 1/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 3/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
RIPK1 Q13546 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL5411480 1.00 SLC18A3 (0.46) SLC18A3SIGMAR1AKT1GNRHRMAPK1
SCHEMBL2354258 0.85 AKT1 (0.43) SLC18A3SIGMAR1AKT1GNRHRNOTUM
SCHEMBL13519046 0.83 ALDH1A1 (0.44) SLC18A3SIGMAR1AKT1MAPK1NOTUM
SCHEMBL22047676 0.82 NOTUM (0.46) SLC18A3SIGMAR1AKT1NOTUMHDAC1
SCHEMBL4975916 0.82 SLC18A3 (0.56) SLC18A3SIGMAR1HDAC1HDAC6HDAC8
SCHEMBL4975920 0.82 SLC18A3 (0.56) SLC18A3SIGMAR1HDAC1HDAC6HDAC8
SCHEMBL4974614 0.81 HDAC1 (0.50) SLC18A3SIGMAR1CYP2C19HDAC1HDAC6
SCHEMBL2625791 0.81 HDAC1 (0.50) SLC18A3SIGMAR1CYP2C19HDAC1HDAC6
SCHEMBL13519045 0.80 SLC18A3 (0.42) SLC18A3SIGMAR1AKT1NOTUMHDAC1
SCHEMBL4977380 0.76 OPRL1 (0.58) AKT1MAPK1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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 (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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 SLC18A3 3734/4885SIGMAR1 10/4885AKT1 2104/4885

“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.