SCHEMBL1151084

SCHEMBL1151084

N#CN(Cc1cccc2c1OCC2)C(=N)NCCF

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PARP1 P09874 1/20 0.33
KCNH2 Q12809 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CHRM4 P08173 1/20 0.31
CCR8 P51685 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
SCHEMBL12860181 0.72 HTR2A (0.37) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL12860220 0.72 HTR2A (0.37) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL1151085 0.72 HTR2A (0.37) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL4895023 0.71 MTNR1A (0.44) HTR2AHTR2CPARP1KCNH2KDM4C
SCHEMBL8747325 0.66 PARP1 (0.44) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL3127041 0.64 HTR2A (0.50) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL1150943 0.64 MAOA (0.31)
SCHEMBL1150915 0.64 PARP1 (0.51) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL3287609 0.64 PARP1 (0.47) HTR2AHTR2CPARP1KCNH2SLC6A2
SCHEMBL1150770 0.64 PARP1 (0.51) HTR2AHTR2CPARP1KCNH2SLC6A2

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 HTR2A 369/4885HTR2C 582/4885PARP1 624/4885

“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.