SCHEMBL2604745

SCHEMBL2604745

CC(=O)c1cnc2n1CCc1ccccc1C2=C1CC[N+](C)([O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.41
HRH1 P35367 3/20 0.37
SETD7 Q8WTS6 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL2604746 0.86 SETD7 (0.51) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL25616981 0.84 PTAFR (0.43) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL14273801 0.82 SETD7 (0.36) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL2116710 0.77 SETD7 (0.51) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL6988373 0.71 HRH1 (0.61) PTAFRHRH1CHRM2HTR2AOPRK1
SCHEMBL27300170 0.70 SETD7 (0.48) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL6990036 0.68 SETD7 (0.48) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL7092907 0.67 SETD7 (0.56) PTAFRHRH1SETD7CHRM2HTR1A
Alcaftadine SCHEMBL29378093 0.67 SETD7 (0.52) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL5060512 0.67 SETD7 (0.52) PTAFRHRH1SETD7CHRM2HTR1A

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-20170065605-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE VISTAKON PHARMACEUTICALS, LLC 2017-03-09 US disclosed
US-20170065605-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE VISTAKON PHARMACEUTICALS, LLC 2017-03-09 US disclosed
US-20120094978-A1 Ocular Allergy Treatments PARASRAMPURIA JAGDISH (US) 2012-04-19 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 (2 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-20170065605-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE CCL11, HRH2, IL5 PTAFR 293/4885HRH1 7/4885SETD7 2348/4885
US-20120094978-A1 Ocular Allergy Treatments HRH2, CMA1, TPSAB1 PTAFR 290/4885HRH1 9/4885SETD7 2609/4885

“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.