SCHEMBL4694061

SCHEMBL4694061

O=C1c2ccccc2C(=O)N1C1CCN(c2cnc(Br)c(-c3ccncc3Cl)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
CNR2 P34972 3/20 0.42
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PTPN11 Q06124 5/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
CKS1B P61024 3/20 0.35
SKP1 P63208 3/20 0.35
SKP2 Q13309 3/20 0.35

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
SCHEMBL14545114 0.82 CNR1 (0.69) CNR1CNR2PTPN11CKS1BSKP1
SCHEMBL4789263 0.82 ADRA1D (0.40) CNR1CNR2ADRA1DADRA1AADRA1B
SCHEMBL4749104 0.81 CNR1 (0.56) CNR1CNR2ADRA1DADRA1AADRA1B
SCHEMBL14545104 0.76 CNR1 (0.44) CNR1CNR2ADRA1DADRA1AADRA1B
SCHEMBL4693209 0.74 MEN1 (0.47) ADRA1DADRA1AADRA1BALDH1A1L3MBTL1
SCHEMBL3439989 0.68 L3MBTL1 (0.47) ADRA1DADRA1AADRA1BALDH1A1L3MBTL1
SCHEMBL3194921 0.67 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BALDH1A1L3MBTL1
SCHEMBL14545642 0.66 CNR1 (0.59) CNR1CNR2PTPN11CKS1BSKP1
SCHEMBL14545541 0.65 CNR1 (0.55) CNR1CNR2PTPN11CKS1BSKP1
SCHEMBL14544990 0.65 CNR1 (0.59) CNR1CNR2CKS1BSKP1SKP2

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-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 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 (1 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885ADRA1D 83/4885

“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.