SCHEMBL2604746

SCHEMBL2604746

CC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.51
CHRM2 P08172 6/20 0.48
CHRM1 P11229 6/20 0.48
HRH1 P35367 6/20 0.48
ADRA1A P35348 5/20 0.48
KCNH2 Q12809 5/20 0.48
HTR2A P28223 5/20 0.48
HTR2C P28335 5/20 0.48
HTR1A P08908 4/20 0.48
HTR2B P41595 4/20 0.48
DRD2 P14416 4/20 0.48
OPRK1 P41145 3/20 0.48
PTAFR P25105 2/20 0.48
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADRA2A P08913 5/20 0.43

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
SCHEMBL2116710 0.91 SETD7 (0.51) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL25616981 0.89 PTAFR (0.43) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL2604745 0.86 PTAFR (0.41) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL27300170 0.83 SETD7 (0.48) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL6990036 0.81 SETD7 (0.48) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL7092907 0.81 SETD7 (0.56) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL5060512 0.80 SETD7 (0.52) SETD7CHRM2CHRM1HRH1ADRA1A
Alcaftadine SCHEMBL1602418 0.80 SETD7 (0.52) SETD7CHRM2CHRM1HRH1ADRA1A
Alcaftadine SCHEMBL29378093 0.80 SETD7 (0.52) SETD7CHRM2CHRM1HRH1ADRA1A
SCHEMBL6990642 0.79 MAPK1 (0.52) SETD7CHRM2CHRM1HRH1ADRA1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181594-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE JOHNSON & JOHNSON VISION CARE (US) 2023-06-15 US disclosed
US-20230181594-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE JOHNSON & JOHNSON VISION CARE (US) 2023-06-15 US disclosed
US-20210030762-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE JOHNSON & JOHNSON VISION CARE, INC. 2021-02-04 US disclosed
US-10617695-B2 Ophthalmic compositions containing alcaftadine VISTAKON PHARMACEUTICALS, LLC (US) 2020-04-14 US disclosed
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-9580436-B2 Process of preparing alcaftadine ENALTEC LABS PRIVATE LIMITED (IN) 2017-02-28 US disclosed
US-20120094978-A1 Ocular Allergy Treatments PARASRAMPURIA JAGDISH (US) 2012-04-19 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 (5 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-20230181594-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE CCL11, HRH2, IL5 SETD7 2348/4885CHRM2 1362/4885CHRM1 2168/4885
US-20170065605-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE CCL11, HRH2, IL5 SETD7 2348/4885CHRM2 1362/4885CHRM1 2168/4885
US-20210030762-A1 TREATMENTS OF OCULAR ALLERGY WITH ALCAFTADINE CCL11, HRH2, IL5 SETD7 2348/4885CHRM2 1362/4885CHRM1 2168/4885
US-20120094978-A1 Ocular Allergy Treatments HRH2, CMA1, TPSAB1 SETD7 2609/4885CHRM2 1416/4885CHRM1 2251/4885
US-10617695-B2 Ophthalmic compositions containing alcaftadine CCL11, PDE6H, ADRB1 SETD7 1999/4885CHRM2 1101/4885CHRM1 1782/4885

“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.