SCHEMBL5515993

SCHEMBL5515993

O=C(O)N1CC(Oc2cc(-c3ccncc3Cl)c(-c3ccc(C(F)(F)F)cc3)nn2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
CNR2 P34972 2/20 0.41
SMO Q99835 2/20 0.39
KLRK1 P26718 2/20 0.35
MICA Q29983 2/20 0.35
RAET1L Q5VY80 2/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
USP30 Q70CQ3 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
DPP4 P27487 1/20 0.34
FAAH O00519 4/20 0.33
LIPG Q9Y5X9 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL14545044 0.91 CNR1 (0.43) CNR1CNR2SMOKLRK1MICA
SCHEMBL14523455 0.89 GPBAR1 (0.45) CNR1CNR2SMOGPBAR1
SCHEMBL14545073 0.88 CNR1 (0.41) CNR1CNR2SMOKLRK1MICA
SCHEMBL14545075 0.88 CNR1 (0.40) CNR1CNR2SMOUSP30FAAH
SCHEMBL5519690 0.84 CNR1 (0.53) CNR1CNR2SMOGPBAR1SLC22A12
SCHEMBL4695173 0.79 CNR1 (0.51) CNR1CNR2SMO
SCHEMBL5516071 0.76 CNR1 (0.56) CNR1CNR2DPP4
SCHEMBL14545420 0.74 CNR1 (0.51) CNR1CNR2FAAH
SCHEMBL14545423 0.74 CNR1 (0.53) CNR1CNR2SMOKLRK1MICA
SCHEMBL14545099 0.74 CNR1 (0.57) CNR1CNR2

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.