SCHEMBL3320770

SCHEMBL3320770

CC(c1ccccc1C(F)(F)F)N(C)C1CN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
MCHR1 Q99705 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CNR1 P21554 1/20 0.38
ACP3 P15309 1/20 0.38
CNR2 P34972 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLQ O75417 1/20 0.36

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
SCHEMBL3317389 0.83 KIF11 (0.38) MCHR1CNR1ACP3CYP1A2CYP3A4
SCHEMBL3317456 0.82 MCHR1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CMCHR1
SCHEMBL3317794 0.78 CNR1 (0.46) RBP4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3316820 0.74 CHRM1 (0.40) CACNA1BSLC6A2SLC6A4DPP4DPP7
SCHEMBL3313190 0.73 TACR1 (0.37) MCHR1DPP4DPP7
SCHEMBL3320631 0.73 CCR5 (0.43) MCHR1
SCHEMBL3316906 0.73 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CMCHR1
SCHEMBL3317066 0.73 MEN1 (0.43)
SCHEMBL3314490 0.72 DPP4 (0.44) CNR1CNR2SLC6A2SLC6A4CYP2C9
SCHEMBL12296385 0.72 CRHBP (0.43) CRHBPCRHR2CNR1ACP3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 RBP4 3996/4885CACNA2D1 384/4885CACNA1B 63/4885

“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.