SCHEMBL4703391

SCHEMBL4703391

CCCC1(c2cccc(Br)c2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ELANE P08246 2/20 0.39
CYP1B1 Q16678 1/20 0.38
CNR1 P21554 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 0.90 ELANE (0.43) ADRA2ANISCHKMT2AMEN1ACHE
SCHEMBL4700275 0.80 ELANE (0.46) ADRA2ANISCHTSHRKMT2AMEN1
SCHEMBL4697212 0.80 KMT2A (0.46) ADRA2ANISCHKMT2AMEN1ACHE
SCHEMBL17338840 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1ALDH2ALDH3A1
SCHEMBL4701734 0.77 KMT2A (0.41) KMT2A
SCHEMBL4701273 0.76 ELANE (0.42) ADRA2ANISCHTSHRKMT2AMEN1
SCHEMBL14564783 0.76 ELANE (0.42) ADRA2ANISCHKMT2AMEN1ACHE
SCHEMBL4698661 0.76 ELANE (0.43) ADRA2ANISCHTSHRKMT2AMEN1
SCHEMBL4702789 0.74 CMA1 (0.49) ADRA2ANISCHKMT2AMEN1CYP2C19
SCHEMBL4701920 0.72 TDP1 (0.56) ADRA2ANISCHTSHRKMT2AMEN1

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 ADRA2A 163/4885NISCH 2548/4885TSHR 762/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ADRA2A 206/4885NISCH 2256/4885TSHR 516/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ADRA2A 219/4885NISCH 2246/4885TSHR 506/4885

“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.