SCHEMBL4448618

SCHEMBL4448618

CNC(=O)C(NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
ANPEP P15144 3/20 0.45
HDAC8 Q9BY41 1/20 0.45
TACR3 P29371 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
MTTP P55157 1/20 0.44
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ULK1 O75385 1/20 0.42

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
SCHEMBL4450456 0.79 NPC1 (0.64) ANPEPTACR3S1PR3S1PR4
SCHEMBL4456942 0.79 TACR1 (0.49) TACR3MTTPCYP1A2CYP3A4CYP2D6
SCHEMBL4444765 0.77 S1PR3 (0.56) ANPEPTACR3S1PR3S1PR4CYP1A2
SCHEMBL13407792 0.77 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2HDAC8KCNQ3
SCHEMBL13761391 0.77 HDAC8 (0.46) TAS1R3TAS1R1TAS1R2HDAC8KCNQ3
SCHEMBL13753375 0.76 NPSR1 (0.57) TAS1R3TAS1R1TAS1R2ANPEPHDAC8
SCHEMBL14534004 0.75 KCNQ3 (0.62) TAS1R3TAS1R1TAS1R2HDAC8KCNQ3
SCHEMBL4443040 0.74 S1PR3 (0.53) ANPEPTACR3S1PR3S1PR4CYP1A2
SCHEMBL13753428 0.74 HDAC8 (0.55) TAS1R3TAS1R1TAS1R2HDAC8KCNQ3
SCHEMBL4447518 0.74 TNFRSF1A (0.47) TACR3MTTPS1PR3CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TAS1R3 1996/4885TAS1R1 1626/4885TAS1R2 1702/4885

“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.