SCHEMBL4701273

SCHEMBL4701273

CCC1(c2cc(F)cc(Br)c2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA2A P08913 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 3/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4700275 0.93 ELANE (0.46) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL4700020 0.91 ELANE (0.47) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL14564783 0.88 ELANE (0.42) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL4699728 0.85 ELANE (0.43) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL14564776 0.81 ELANE (0.47) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL4702697 0.79 OPRM1 (0.41)
SCHEMBL4703391 0.76 ADRA2A (0.42) ELANEMEN1KMT2AADRA2ANISCH
SCHEMBL14564780 0.76 CYP19A1 (0.43) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL4698661 0.76 ELANE (0.43) ELANEMEN1KMT2ANPSR1ADRA2A
SCHEMBL14564785 0.74 MEN1 (0.45) ELANEMEN1KMT2ANPSR1ADRA2A

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 ELANE 1990/4885MEN1 3855/4885KMT2A 2767/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ELANE 1589/4885MEN1 3671/4885KMT2A 2959/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ELANE 1589/4885MEN1 3509/4885KMT2A 2806/4885

“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.