SCHEMBL4697212

SCHEMBL4697212

CC(C)C1(c2cccc(Br)c2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.41
ACHE P22303 1/20 0.40
ADRA2A P08913 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.39
ELANE P08246 1/20 0.38
XIAP P98170 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL4699728 0.81 ELANE (0.43) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL17338840 0.81 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1ALDH2ALDH3A1
SCHEMBL4703391 0.80 ADRA2A (0.42) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL4702645 0.78 RORC (0.41) KMT2ASMN1; SMN2
SCHEMBL4700275 0.73 ELANE (0.46) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL17338931 0.70 CHRM2 (0.48) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL14564783 0.70 ELANE (0.42) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL4701273 0.70 ELANE (0.42) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL9909016 0.69 ELANE (0.59) KMT2AMEN1ACHEADRA2ANISCH
SCHEMBL12469648 0.69 ELANE (0.59) KMT2AMEN1ACHEADRA2ANISCH

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 2767/4885MEN1 3855/4885ACHE 223/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KMT2A 2959/4885MEN1 3671/4885ACHE 177/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KMT2A 2806/4885MEN1 3509/4885ACHE 179/4885

“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.