SCHEMBL4975958

SCHEMBL4975958

CCOC(=O)N1CCC(O)(c2ccccc2C(O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ APP P05067 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ OPRM1 P35372 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
SCHEMBL5781108 0.85 OPRM1 (0.36) L3MBTL1ALDH1A1OPRD1OPRK1POLB
SCHEMBL4981287 0.78 L3MBTL1 (0.57) L3MBTL1APPALDH1A1KDM4ETSHR
SCHEMBL4978011 0.72 SIGMAR1 (0.51) APPOPRK1OPRM1
SCHEMBL38654078 0.69 GAA (0.39) L3MBTL1ALDH1A1KDM4ETSHRLMNA
SCHEMBL9528495 0.69 APP (0.66) L3MBTL1APPALDH1A1OPRD1OPRK1
SCHEMBL6816262 0.69 L3MBTL1 (0.60) L3MBTL1APPALDH1A1KDM4ETSHR
SCHEMBL238045 0.69 OPRD1 (0.43) KDM4ETSHROPRD1OPRK1
SCHEMBL4976000 0.69 IDO1 (0.35) ALDH1A1GAACYP2C9
SCHEMBL7570603 0.69 L3MBTL1 (0.56) L3MBTL1APPALDH1A1TSHRGAA
SCHEMBL4863815 0.68 L3MBTL1 (0.53) L3MBTL1APPALDH1A1KDM4ETSHR

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 L3MBTL1 223/4885APP 1776/4885ALDH1A1 153/4885
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 L3MBTL1 309/4885APP 2631/4885ALDH1A1 365/4885

“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.

Send feedback