SCHEMBL4975916

SCHEMBL4975916

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.43
S1PR5 Q9H228 9/20 0.42
S1PR1 P21453 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FFAR1 O14842 3/20 0.41
S1PR3 Q99500 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4975920 1.00 SLC18A3 (0.56) SLC18A3SIGMAR1PTGDR2S1PR5S1PR1
SCHEMBL4979615 0.84 SLC18A3 (0.51) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL4979611 0.84 SLC18A3 (0.51) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL5411477 0.82 SLC18A3 (0.46) SLC18A3SIGMAR1PTGDR2HDAC1HDAC8
SCHEMBL5411480 0.82 SLC18A3 (0.46) SLC18A3SIGMAR1PTGDR2HDAC1HDAC8
SCHEMBL13519046 0.79 ALDH1A1 (0.44) SLC18A3SIGMAR1
SCHEMBL22047676 0.78 NOTUM (0.46) SLC18A3SIGMAR1PTGDR2HDAC1HDAC6
SCHEMBL4975877 0.77 SLC18A3 (0.48) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL4975870 0.77 SLC18A3 (0.48) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL14201270 0.77 SLC18A3 (0.48) SLC18A3SIGMAR1HDAC1HDAC8HDAC6

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 4 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
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 (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 10/4885PTGDR2 737/4885
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 26/4885PTGDR2 803/4885

“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.