SCHEMBL4701320

SCHEMBL4701320

CCC=NNc1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MTNR1B P49286 4/20 0.43
MTNR1A P48039 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL20753820 0.78 ALDH1A1 (0.51) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL13365223 0.78 MEN1 (0.44) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL4704410 0.77 GAA (0.46) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL6258354 0.76 MTNR1B (0.53) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL1144594 0.75 RAB9A (0.53) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL21626751 0.75 RAB9A (0.56) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL11583765 0.75 NOX1 (0.52) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL11583762 0.75 NOX1 (0.52) MAPTNPC1RAB9AMAPK1KDM4E
SCHEMBL14067436 0.75 NOX1 (0.52) MAPTNPC1RAB9AMAPK1KDM4E
Hydrochloric Acid SCHEMBL16026908 0.73 KMT2A (0.54) MAPTNPC1RAB9AMAPK1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US disclosed
US-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US disclosed
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US disclosed
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US disclosed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 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 (3 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-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 MAPT 4519/4885NPC1 1974/4885RAB9A 596/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 MAPT 4454/4885NPC1 2212/4885RAB9A 552/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 MAPT 4359/4885NPC1 2197/4885RAB9A 462/4885

“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.