SCHEMBL3315968

SCHEMBL3315968

CC(NC1CN(C(=O)O)C1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
GRM7 Q14831 1/20 0.42
TEAD1 P28347 2/20 0.41
NPY1R P25929 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40

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
SCHEMBL3317146 0.86 L3MBTL1 (0.42) TEAD1NPY1RSLC6A4GAAL3MBTL1
SCHEMBL3318604 0.82 KDM1A (0.49) NPY1RSLC6A4RAB9AKCNH2
SCHEMBL3310959 0.81 PANK3 (0.42) ALDH1A1KDM4EHTTTEAD1GAA
SCHEMBL3317082 0.81 EPHX2 (0.45) ALDH1A1TEAD1
SCHEMBL3315251 0.80 ACACB (0.52) NPY1RSLC6A4GAAL3MBTL1KCNH2
SCHEMBL3316722 0.79 CACNA1B (0.41) SLC6A4DPP4DPP9DPP7CACNA1B
SCHEMBL3320853 0.79 DPP4 (0.45) ALDH1A1KDM4EHTTNPC1GAA
SCHEMBL3319177 0.79 SOS1 (0.37) DPP4DPP7
SCHEMBL3321099 0.78 DPP4 (0.46) RAB9ADPP4DPP7
SCHEMBL3317174 0.78 HRH4 (0.39) ALDH1A1KDM4ENPC1GAAL3MBTL1

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 ADRB2 43/4885ALDH1A1 1255/4885KDM4E 4603/4885

“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.