SCHEMBL4975875

SCHEMBL4975875

CCOC(=O)N1CCC2(CC1)OCCc1cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CCR2 P41597 4/20 0.41
CYP3A4 P08684 2/20 0.41
GRM5 P41594 2/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPY5R Q15761 1/20 0.40
HTT P42858 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
SCHEMBL4981388 0.92 L3MBTL1 (0.47) L3MBTL1LMNAALDH1A1MAPTCYP3A4
SCHEMBL11674005 0.81 ALDH1A1 (0.48) L3MBTL1LMNAALDH1A1MAPTMEN1
SCHEMBL4886864 0.80 GRM5 (0.43) ALDH1A1CYP3A4GRM5MEN1CYP1A2
SCHEMBL4939597 0.77 APP (0.47) L3MBTL1ALDH1A1
SCHEMBL5793978 0.75 SIGMAR1 (0.42) CCR2KMT2A
SCHEMBL11831680 0.74 AVPR1A (0.60)
SCHEMBL10558563 0.73 HDAC3 (0.51) L3MBTL1LMNAALDH1A1MAPTCYP3A4
SCHEMBL18793349 0.72 LMNA (0.50) LMNAALDH1A1MAPTCYP3A4GRM5
SCHEMBL4980764 0.72 L3MBTL1 (0.56) L3MBTL1LMNAALDH1A1MAPTCYP3A4
SCHEMBL3546367 0.71 L3MBTL1 (0.58) L3MBTL1LMNAALDH1A1MAPTMEN1

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-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 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-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS 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 L3MBTL1 223/4885LMNA 3762/4885ALDH1A1 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 309/4885LMNA 1942/4885ALDH1A1 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.