Sugi Predict

Sugi Predict / Compounds / SCHEMBL4978095

SCHEMBL4978095

SCHEMBL4978095

CCOC(=O)C(Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl)CN1CCC2(CC1)c1ccccc1CC2O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCHR2 Q969V1 3/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ OPRL1 P41146 10/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33

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
SCHEMBL4978100 1.00 MCHR2 (0.37) MCHR2SIGMAR1OPRL1HSP90AA1HSP90AB1
SCHEMBL4979994 0.84 MCHR2 (0.37) MCHR2SIGMAR1OPRL1
SCHEMBL4979997 0.84 MCHR2 (0.37) MCHR2SIGMAR1OPRL1
SCHEMBL4981058 0.83 OPRL1 (0.36) SIGMAR1OPRL1
SCHEMBL4981062 0.83 OPRL1 (0.36) SIGMAR1OPRL1
SCHEMBL4977610 0.82 SIGMAR1 (0.42) SIGMAR1OPRL1
SCHEMBL4977604 0.82 SIGMAR1 (0.42) SIGMAR1OPRL1
SCHEMBL5410979 0.81 OPRL1 (0.39) OPRL1
SCHEMBL5410985 0.81 OPRL1 (0.39) OPRL1
SCHEMBL4978330 0.81 SIGMAR1 (0.45) SIGMAR1OPRL1

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-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 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-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST 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 MCHR2 1239/4885SIGMAR1 10/4885OPRL1 1/4885
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 MCHR2 1241/4885SIGMAR1 26/4885OPRL1 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.