SCHEMBL4977642

SCHEMBL4977642

CN1CC2(CCN(CC(Cc3cc(O[Si](C)(C)C(C)(C)C)ccc3F)C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
OPRL1 P41146 5/20 0.34
FFAR1 O14842 3/20 0.34
GPR119 Q8TDV5 1/20 0.32
MTNR1B P49286 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4977638 1.00 SLC18A3 (0.35) SLC18A3SIGMAR1OPRL1FFAR1GPR119
SCHEMBL4979710 0.93 SLC18A3 (0.34) SLC18A3SIGMAR1OPRL1FFAR1HDAC1
SCHEMBL4979707 0.93 SLC18A3 (0.34) SLC18A3SIGMAR1OPRL1FFAR1HDAC1
SCHEMBL4977613 0.92 SLC18A3 (0.36) SLC18A3SIGMAR1OPRL1FFAR1MTNR1B
SCHEMBL4977609 0.92 SLC18A3 (0.36) SLC18A3SIGMAR1OPRL1FFAR1MTNR1B
SCHEMBL4977692 0.91 SLC18A3 (0.34) SLC18A3SIGMAR1OPRL1FFAR1
Trifluoroacetic Acid SCHEMBL4977681 0.90 FFAR1 (0.36) SLC18A3SIGMAR1OPRL1FFAR1
Trifluoroacetic Acid SCHEMBL4977685 0.90 FFAR1 (0.36) SLC18A3SIGMAR1OPRL1FFAR1
SCHEMBL4981448 0.85 FFAR1 (0.36) SLC18A3SIGMAR1OPRL1FFAR1
SCHEMBL4981442 0.85 FFAR1 (0.36) SLC18A3SIGMAR1OPRL1FFAR1

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-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
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 10/4885OPRL1 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.