SCHEMBL3315210

SCHEMBL3315210

O=C(O)N1CC(NCc2c(F)cccc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
TEAD1 P28347 2/20 0.36
KDM4E B2RXH2 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL4483441 0.81 ALDH1A1 (0.52) SIGMAR1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2469241 0.75 GLA (0.52) KMT2AALDH1A1KDM1AMAOAMEN1
SCHEMBL5437369 0.72 SIGMAR1 (0.44) SIGMAR1ALDH1A1HRH4TEAD1L3MBTL1
SCHEMBL1434919 0.72 DRD2 (0.41) TEAD1DRD2DRD3
SCHEMBL3317174 0.72 HRH4 (0.39) KMT2AALDH1A1HRH4KDM4EL3MBTL1
SCHEMBL25253156 0.72 POLB (0.48) KMT2ATEAD1KDM4EMEN1
SCHEMBL25298980 0.71 TEAD1 (0.58) SIGMAR1TEAD1KDM1AMAOA
SCHEMBL13060212 0.70 GPR119 (0.59) ALDH1A1MAPTKDM4EKDM1AL3MBTL1
SCHEMBL4713876 0.69 TLR2 (0.50) SIGMAR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL29578733 0.68 GLA (0.45) KMT2AKDM1AMAOAMEN1SMYD3

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 SIGMAR1 25/4885KMT2A 3099/4885ALDH1A1 1255/4885

“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.