SCHEMBL4977356

SCHEMBL4977356

CCOC(=O)N1CCC2(CC1)CC(=O)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
APP P05067 6/20 0.51
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.48
KCNH2 Q12809 4/20 0.48
PDK2 Q15119 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
P2RY12 Q9H244 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4977361 1.00 HRH3 (0.55) HRH3L3MBTL1APPKMT2ALMNA
SCHEMBL2104310 0.86 MEN1 (0.52) HRH3KMT2ASMN1; SMN2
SCHEMBL1221984 0.83 HRH3 (0.51) HRH3PDK2
SCHEMBL29562510 0.83 HRH3 (0.51) HRH3PDK2
SCHEMBL16328197 0.82 HRH3 (0.57) HRH3PDK2GAASMN1; SMN2
SCHEMBL16407589 0.81 LMNA (0.50) L3MBTL1APPKMT2ALMNAGAA
SCHEMBL2802804 0.80 HRH3 (0.55) HRH3
SCHEMBL13181162 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL13227677 0.78 HRH3 (0.54) HRH3KMT2APDK2GAASMN1; SMN2
SCHEMBL11840173 0.78 HRH3 (0.55) HRH3L3MBTL1APP

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 HRH3 145/4885L3MBTL1 223/4885APP 1776/4885
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 HRH3 229/4885L3MBTL1 309/4885APP 2631/4885

“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.