SCHEMBL4698357

SCHEMBL4698357

CCC1(c2cc(Br)cc(Br)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
RORC P51449 3/20 0.41
FUCA1 P04066 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ACHE P22303 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL14564781 0.92 LMNA (0.39) LMNARORCFUCA1OPRM1DRD2
SCHEMBL4702697 0.91 OPRM1 (0.41) LMNARORCFUCA1OPRM1DRD2
SCHEMBL4697773 0.90 OPRM1 (0.46) RORCFUCA1OPRM1DRD2DRD3
SCHEMBL14564788 0.85 LMNA (0.43) LMNAFUCA1OPRM1ACHESIGMAR1
SCHEMBL4702121 0.84 OPRM1 (0.45) FUCA1OPRM1DRD2DRD3ACHE
SCHEMBL4701734 0.80 KMT2A (0.41) LMNARORCFUCA1OPRM1DRD2
SCHEMBL14564782 0.80 LMNA (0.38) LMNAFUCA1OPRM1ACHESIGMAR1
SCHEMBL14564786 0.80 FUCA1 (0.40) LMNAFUCA1OPRM1DRD2OPRD1
SCHEMBL4699790 0.79 OPRM1 (0.46) FUCA1OPRM1OPRD1OPRK1KCNH2
SCHEMBL4757382 0.79 OPRM1 (0.50) OPRM1DRD2DRD3OPRD1OPRK1

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 5 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
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 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 (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 LMNA 3985/4885RORC 343/4885FUCA1 3374/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 LMNA 3976/4885RORC 398/4885FUCA1 4421/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 LMNA 4123/4885RORC 349/4885FUCA1 4301/4885

“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.