SCHEMBL17833993

SCHEMBL17833993

CC(C)N1CCC(Cc2cnn(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
GRIN2B Q13224 5/20 0.36
ADRA2A P08913 4/20 0.36
HTR2A P28223 4/20 0.36
ADRA1A P35348 4/20 0.36
GRIN1 Q05586 4/20 0.36
SIGMAR1 Q99720 3/20 0.36
HTR2B P41595 3/20 0.36
GRIN2D O15399 2/20 0.36

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
SCHEMBL20781647 0.87 HRH3 (0.39) HRH3ALDH1A1
SCHEMBL17835085 0.83 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL20198524 0.81 ALDH1A1 (0.39) HRH3KCNH2ALDH1A1
SCHEMBL21940839 0.74 HRH3 (0.54) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL18705080 0.74 DRD2 (0.43) HRH3KCNH2ALDH1A1WNT1GSK3B
SCHEMBL278451 0.73 HRH3 (0.71) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL12255642 0.73 HRH3 (0.52) HRH3KCNH2
SCHEMBL20009110 0.72 HRH3 (0.52) HRH3KCNH2WNT1GSK3BDYRK1A
SCHEMBL14507935 0.72 HRH3 (0.54) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL24296223 0.71 ALDH1A1 (0.39) HRH3KCNH2ALDH1A1OPRK1

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-20220153724-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2022-05-19 US disclosed
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 US disclosed
US-20190152950-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2019-05-23 US disclosed
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-16 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 (4 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-20190152950-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 HRH3 294/4885KCNH2 607/4885ALDH1A1 3567/4885
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 HRH3 294/4885KCNH2 607/4885ALDH1A1 3567/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 HRH3 294/4885KCNH2 607/4885ALDH1A1 3567/4885
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, SERPINB1, KLK5 HRH3 294/4885KCNH2 607/4885ALDH1A1 3567/4885

“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.