SCHEMBL4979710

SCHEMBL4979710

CN1CC2(CCN(CC(Cc3cc(O[Si](C)(C)C(C)(C)C)ccc3Cl)C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
FFAR1 O14842 3/20 0.34
OPRL1 P41146 2/20 0.34
CYP3A4 P08684 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
P2RY1 P47900 2/20 0.32
GNRHR P30968 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
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
SCHEMBL4979707 1.00 SLC18A3 (0.34) SLC18A3SIGMAR1FFAR1OPRL1CYP3A4
SCHEMBL4981442 0.93 FFAR1 (0.36) SLC18A3SIGMAR1FFAR1OPRL1TACR1
SCHEMBL4977638 0.93 SLC18A3 (0.35) SLC18A3SIGMAR1FFAR1OPRL1HDAC1
SCHEMBL4977642 0.93 SLC18A3 (0.35) SLC18A3SIGMAR1FFAR1OPRL1HDAC1
SCHEMBL4981448 0.93 FFAR1 (0.36) SLC18A3SIGMAR1FFAR1OPRL1TACR1
SCHEMBL4975904 0.92 FFAR1 (0.34) SLC18A3SIGMAR1FFAR1OPRL1P2RY1
Trifluoroacetic Acid SCHEMBL4975890 0.90 S1PR5 (0.36) SLC18A3SIGMAR1FFAR1OPRL1TACR1
Trifluoroacetic Acid SCHEMBL4975899 0.90 S1PR5 (0.36) SLC18A3SIGMAR1FFAR1OPRL1TACR1
SCHEMBL4977613 0.85 SLC18A3 (0.36) SLC18A3SIGMAR1FFAR1OPRL1HDAC1
SCHEMBL4977609 0.85 SLC18A3 (0.36) SLC18A3SIGMAR1FFAR1OPRL1HDAC1

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 6 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-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP 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
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 SLC18A3 3734/4885SIGMAR1 10/4885FFAR1 38/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 SLC18A3 2071/4885SIGMAR1 26/4885FFAR1 598/4885

“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.