SCHEMBL4701734

SCHEMBL4701734

CCCC1(c2cccc(Br)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.38
RORC P51449 1/20 0.38
FUCA1 P04066 2/20 0.38
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
POLB P06746 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
SCHEMBL4697773 0.90 OPRM1 (0.46) KMT2ADRD2DRD3SIGMAR1SMN1; SMN2
SCHEMBL4698332 0.81 OPRM1 (0.58) OPRM1
SCHEMBL4702645 0.80 RORC (0.41) KMT2ADRD2DRD3SIGMAR1SMN1; SMN2
SCHEMBL4698357 0.80 LMNA (0.42) DRD2DRD3SIGMAR1OPRM1RORC
SCHEMBL4703507 0.79 OPRM1 (0.63) OPRM1
SCHEMBL4703391 0.77 ADRA2A (0.42) KMT2A
SCHEMBL14564781 0.76 LMNA (0.39) DRD2DRD3SIGMAR1OPRM1RORC
SCHEMBL4699790 0.75 OPRM1 (0.46) OPRM1FUCA1
SCHEMBL4757382 0.75 OPRM1 (0.50) DRD2DRD3OPRM1
SCHEMBL4702697 0.75 OPRM1 (0.41) DRD2DRD3SIGMAR1OPRM1RORC

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 KMT2A 2767/4885DRD2 114/4885DRD3 124/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KMT2A 2959/4885DRD2 77/4885DRD3 107/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KMT2A 2806/4885DRD2 89/4885DRD3 110/4885

“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.