SCHEMBL4456942

SCHEMBL4456942

CNC(=O)C(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.49
TACR3 P29371 3/20 0.47
ULK1 O75385 1/20 0.47
MTTP P55157 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
RORC P51449 1/20 0.43
P2RX1 P51575 1/20 0.42
CCR2 P41597 2/20 0.42
GPR139 Q6DWJ6 1/20 0.42
VNN1 O95497 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL4448206 0.81 MTTP (0.52) TACR1TACR3MTTPRORC
SCHEMBL4448204 0.81 MTTP (0.52) TACR1TACR3MTTPRORC
SCHEMBL4450456 0.79 NPC1 (0.64) TACR3
SCHEMBL4448618 0.79 TAS1R3 (0.46) TACR3ULK1MTTPCYP1A2CYP3A4
SCHEMBL4444765 0.77 S1PR3 (0.56) TACR3CYP1A2CYP3A4TSHR
SCHEMBL4447357 0.77 ANPEP (0.46) MTTPRORC
SCHEMBL4446727 0.77 ANPEP (0.46) MTTPRORC
SCHEMBL4446731 0.77 ANPEP (0.46) MTTPRORC
SCHEMBL4450971 0.77 TACR3 (0.52) TACR3MTTP
SCHEMBL4450969 0.77 TACR3 (0.52) TACR3MTTP

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 TACR1 541/4885TACR3 556/4885ULK1 3396/4885

“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.