SCHEMBL14545609

SCHEMBL14545609

NC1CN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.69
CNR2 P34972 2/20 0.69
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
PDE10A Q9Y233 1/20 0.38
PTPN11 Q06124 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMO Q99835 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL14545673 0.90 CNR1 (0.73) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545610 0.90 CNR1 (0.69) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544961 0.87 CNR1 (0.66) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545352 0.84 CNR1 (0.75) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545611 0.84 CNR1 (0.65) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545021 0.84 CNR1 (0.62) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545670 0.84 CNR1 (0.75) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545033 0.83 CNR1 (0.84) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545501 0.83 CNR1 (0.77) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545042 0.83 CNR1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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 (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 2/4885CKS1B 1836/4885

“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.