SCHEMBL1151200

SCHEMBL1151200

Cc1ccc2c(c1)C(NC(=NC#N)NCCF)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
PDE10A Q9Y233 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CCR2 P41597 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
ACHE P22303 2/20 0.32
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
DHODH Q02127 1/20 0.31
IDO1 P14902 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
WDR5 P61964 1/20 0.30

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
SCHEMBL12860197 1.00 TRPV1 (0.37) TRPV1PDE10AMAOAMAOBCCR2
SCHEMBL12860194 0.88 PDE10A (0.36) TRPV1PDE10AMAOAMAOBJAK2
SCHEMBL1150952 0.88 PDE10A (0.36) TRPV1PDE10AMAOAMAOBJAK2
SCHEMBL12860195 0.87 MAOA (0.38) TRPV1MAOAMAOBJAK2JAK1
SCHEMBL1151134 0.87 MAOA (0.38) TRPV1MAOAMAOBJAK2JAK1
SCHEMBL12860165 0.86 TRPV1 (0.38) TRPV1MAOAMAOBLMNA
SCHEMBL12860166 0.85 LMNA (0.40) DHODHKMT2AMEN1LMNAMAPT
SCHEMBL12860164 0.85 MAOA (0.35) PDE10AMAOAMAOBCCR2ACHE
SCHEMBL12860244 0.84 EPHX2 (0.44) MAOAMAOBACHEDHODHLMNA
SCHEMBL1150845 0.84 EPHX2 (0.44) MAOAMAOBACHEDHODHLMNA

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 TRPV1 2184/4885PDE10A 55/4885MAOA 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.