SCHEMBL4697773

SCHEMBL4697773

CCC1(c2cccc(Br)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
KCNH2 Q12809 3/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RORC P51449 1/20 0.40
FUCA1 P04066 2/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL4701734 0.90 KMT2A (0.41) OPRM1KMT2ADRD2DRD3SMN1; SMN2
SCHEMBL4698357 0.90 LMNA (0.42) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL14564781 0.85 LMNA (0.39) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL4699790 0.85 OPRM1 (0.46) OPRM1KCNH2OPRD1OPRK1FUCA1
SCHEMBL4757382 0.85 OPRM1 (0.50) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL4702697 0.84 OPRM1 (0.41) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL4697810 0.82 SIGMAR1 (0.54) OPRM1OPRK1DRD2DRD3SIGMAR1
SCHEMBL4702645 0.82 RORC (0.41) OPRM1OPRD1OPRK1KMT2ADRD2
SCHEMBL14564788 0.80 LMNA (0.43) OPRM1KCNH2OPRD1OPRK1SIGMAR1
SCHEMBL4699788 0.80 OPRM1 (0.67) OPRM1KCNH2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP disclosed
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 OPRM1 2/4885KCNH2 542/4885OPRD1 1/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 561/4885OPRD1 1/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 546/4885OPRD1 1/4885

“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.