SCHEMBL1150952

SCHEMBL1150952

N#CN=C(NCCF)NC1CCc2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
TRPV1 Q8NER1 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPK1 P28482 1/20 0.34
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
BMX P51813 1/20 0.32
IDO1 P14902 5/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DHODH Q02127 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12860194 1.00 PDE10A (0.36) PDE10ATRPV1MAOAMAOBMAPK1
SCHEMBL12860195 0.88 MAOA (0.38) TRPV1MAOAMAOBJAK2JAK1
SCHEMBL1151134 0.88 MAOA (0.38) TRPV1MAOAMAOBJAK2JAK1
SCHEMBL1151200 0.88 TRPV1 (0.37) PDE10ATRPV1MAOAMAOBJAK2
SCHEMBL12860197 0.88 TRPV1 (0.37) PDE10ATRPV1MAOAMAOBJAK2
SCHEMBL12860165 0.85 TRPV1 (0.38) TRPV1MAOAMAOBLMNA
SCHEMBL1150845 0.85 EPHX2 (0.44) MAOAMAOBDHODHALDH1A1LMNA
SCHEMBL12860244 0.85 EPHX2 (0.44) MAOAMAOBDHODHALDH1A1LMNA
SCHEMBL12860184 0.85 EPHX2 (0.44) MAOAMAOBDHODHALDH1A1LMNA
SCHEMBL12860187 0.85 EPHX2 (0.44) MAOAMAOBDHODHALDH1A1LMNA

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 2 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-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 PDE10A 55/4885TRPV1 2184/4885MAOA 115/4885

“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.