SCHEMBL14545110

SCHEMBL14545110

OC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 2/20 0.52
SMO Q99835 2/20 0.35
USP30 Q70CQ3 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KIF11 P52732 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CACNA1B Q00975 2/20 0.32
GRM2 Q14416 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL14545109 0.91 CNR1 (0.52) CNR1CNR2SMOUSP30PDE10A
SCHEMBL14545727 0.84 CNR1 (0.68) CNR1CNR2SMOUSP30CYP11B1
SCHEMBL14545610 0.84 CNR1 (0.69) CNR1CNR2SMOPDE10AHCRTR1
SCHEMBL14545499 0.83 CNR1 (0.53) CNR1CNR2SMOHCRTR1HCRTR2
SCHEMBL14545732 0.82 CNR1 (0.73) CNR1CNR2SMOMAPK11MAPK14
SCHEMBL14545729 0.81 CNR1 (0.49) CNR1CNR2SMOUSP30HCRTR1
SCHEMBL14545482 0.81 CNR1 (0.60) CNR1CNR2SMOUSP30CYP11B1
SCHEMBL14545505 0.81 CNR1 (0.54) CNR1CNR2SMOUSP30
SCHEMBL14545753 0.81 CNR1 (0.54) CNR1CNR2SMOUSP30HCRTR1
SCHEMBL14545712 0.80 CNR1 (0.46) CNR1CNR2SMO

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 2/4885SMO 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.