SCHEMBL4749104

SCHEMBL4749104

O=C1c2ccccc2C(=O)N1C1CCN(c2cnc(-c3ccc(C(F)(F)F)cn3)c(-c3ccncc3Cl)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.56
CNR2 P34972 2/20 0.53
SMO Q99835 1/20 0.43
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PTPN11 Q06124 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34

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 0.90 CNR1 (0.69) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL4694605 0.84 CNR1 (0.58) CNR1CNR2SMOCKS1BSKP1
SCHEMBL5517818 0.82 CNR1 (0.82) CNR1CNR2SMOCKS1BSKP1
SCHEMBL4694061 0.81 CNR1 (0.45) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545105 0.79 CNR1 (0.82) CNR1CNR2SMOCKS1BSKP1
SCHEMBL14545511 0.78 CNR1 (0.83) CNR1CNR2SMOCKS1BSKP1
SCHEMBL4789263 0.77 ADRA1D (0.40) CNR1CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL14545104 0.74 CNR1 (0.44) CNR1CNR2SMOCKS1BSKP1
SCHEMBL14545673 0.73 CNR1 (0.73) CNR1CNR2SMOCKS1BSKP1
SCHEMBL14545352 0.73 CNR1 (0.75) CNR1CNR2SMOCKS1BSKP1

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 2/4885SMO 840/4885

“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.