SCHEMBL14545482

SCHEMBL14545482

CC[C@H](C)C(=O)NC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.60
CNR2 P34972 2/20 0.60
USP30 Q70CQ3 1/20 0.37
PDE2A O00408 1/20 0.36
NAMPT P43490 1/20 0.36
CYP11B2 P19099 2/20 0.35
EPHX2 P34913 3/20 0.35
CACNA1B Q00975 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMO Q99835 1/20 0.34
DPP4 P27487 1/20 0.34
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
RAET1L Q5VY80 1/20 0.34
CCR5 P51681 1/20 0.34
CYP11B1 P15538 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
SCHEMBL14545727 0.92 CNR1 (0.68) CNR1CNR2USP30PDE2ACYP11B2
SCHEMBL14545731 0.89 CNR1 (0.66) CNR1CNR2USP30PDE2ACYP11B2
SCHEMBL14545486 0.83 CNR1 (0.87) CNR1CNR2PDE2AEPHX2
SCHEMBL14545499 0.81 CNR1 (0.53) CNR1CNR2CACNA1BSMODPP4
SCHEMBL14545110 0.81 CNR1 (0.52) CNR1CNR2USP30CYP11B2CACNA1B
SCHEMBL14545109 0.80 CNR1 (0.52) CNR1CNR2USP30PDE2ACACNA1B
SCHEMBL14545730 0.80 CNR1 (0.50) CNR1CNR2USP30SMOCCR5
SCHEMBL14545729 0.79 CNR1 (0.49) CNR1CNR2USP30CACNA1BSMO
SCHEMBL14545450 0.79 CNR1 (0.55) CNR1CNR2CYP11B2SMODPP4
SCHEMBL14545452 0.78 CNR1 (0.55) CNR1CNR2CYP11B2EPHX2SMO

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 2/4885USP30 2526/4885

“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.