SCHEMBL4976558

SCHEMBL4976558

CCOC(=O)C(Cc1ccccn1)CN1CCC2(CC1)OC(C)(C)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIGMAR1 Q99720 5/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ OPRD1 P41143 3/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ AVPR1A P37288 2/20 0.37

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
SCHEMBL4976552 1.00 KDM4E (0.40) KDM4EALDH1A1KCNH2POLBSIGMAR1
SCHEMBL4979664 0.89 PTPRA (0.40) KDM4EALDH1A1SIGMAR1OPRM1OPRD1
SCHEMBL4979660 0.89 PTPRA (0.40) KDM4EALDH1A1SIGMAR1OPRM1OPRD1
SCHEMBL4976462 0.87 OPRL1 (0.46) KDM4EALDH1A1SIGMAR1OPRM1AVPR1A
SCHEMBL4976469 0.87 OPRL1 (0.46) KDM4EALDH1A1SIGMAR1OPRM1AVPR1A
SCHEMBL4977543 0.83 SIGMAR1 (0.47) KDM4EALDH1A1KCNH2POLBSIGMAR1
SCHEMBL4977545 0.83 SIGMAR1 (0.47) KDM4EALDH1A1KCNH2POLBSIGMAR1
Citric Acid SCHEMBL4977742 0.80 OPRL1 (0.41) KDM4EALDH1A1
Citric Acid SCHEMBL4977746 0.80 OPRL1 (0.41) KDM4EALDH1A1
SCHEMBL4978064 0.79 OPRL1 (0.59) KDM4EALDH1A1KCNH2POLBOPRM1

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 KDM4E 3323/4885ALDH1A1 153/4885KCNH2 1690/4885
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 KDM4E 2601/4885ALDH1A1 365/4885KCNH2 25/4885

“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.

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