SCHEMBL1150845

SCHEMBL1150845

N#CN=C(NCCF)NC1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
BCHE P06276 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ACHE P22303 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PDPK1 O15530 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
SLC18A3 Q16572 1/20 0.37
CA1 P00915 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
SCHEMBL12860244 1.00 EPHX2 (0.44) EPHX2MAOAMAOBBCHEADRA2B
SCHEMBL12860184 1.00 EPHX2 (0.44) EPHX2MAOAMAOBBCHEADRA2B
SCHEMBL12860187 1.00 EPHX2 (0.44) EPHX2MAOAMAOBBCHEADRA2B
SCHEMBL1150952 0.85 PDE10A (0.36) MAOAMAOBALDH1A1DHODHLMNA
SCHEMBL12860194 0.85 PDE10A (0.36) MAOAMAOBALDH1A1DHODHLMNA
SCHEMBL12860195 0.84 MAOA (0.38) MAOAMAOBADRA2BADRA2CDHODH
SCHEMBL1151134 0.84 MAOA (0.38) MAOAMAOBADRA2BADRA2CDHODH
SCHEMBL12860197 0.84 TRPV1 (0.37) MAOAMAOBACHEDHODHLMNA
SCHEMBL1151200 0.84 TRPV1 (0.37) MAOAMAOBACHEDHODHLMNA
SCHEMBL12860255 0.83 PDE10A (0.36) MAOAMAOBTAS1R3TAS1R1

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-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B EPHX2 1019/4885MAOA 115/4885MAOB 137/4885

“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.