SCHEMBL20022665

SCHEMBL20022665

Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C(C)C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.56
KCNH2 Q12809 3/20 0.56
ADRA1A P35348 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2C P18825 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
HTR3A P46098 1/20 0.56
CASP6 P55212 1/20 0.56
HTR1A P08908 5/20 0.32
DRD2 P14416 4/20 0.32
CSNK2A2 P19784 3/20 0.31
CSNK2B P67870 3/20 0.31
CSNK2A1 P68400 3/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
PER2 O15055 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31

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
Alosetron SCHEMBL148316 0.87 HTR2A (0.74) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
SCHEMBL980 0.86 KCNH2 (0.76) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
Alosetron SCHEMBL311317 0.86 CASP6 (0.74) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
Alosetron SCHEMBL7371660 0.86 CASP6 (0.74) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
SCHEMBL20027463 0.85 KCNH2 (0.57) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
SCHEMBL20022674 0.84 KCNH2 (0.48) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
SCHEMBL3321223 0.82 KCNH2 (0.54) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
Alosetron SCHEMBL2229995 0.80 KCNH2 (0.65) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
Maleic Acid SCHEMBL1533 0.80 KCNH2 (0.67) HTR2AKCNH2ADRA1ACYP1A2CYP3A4
Fumaric Acid SCHEMBL1534 0.80 KCNH2 (0.67) HTR2AKCNH2ADRA1ACYP1A2CYP3A4

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-11117918-B2 Enzyme-directed immunostimulant and uses thereof WASHINGTON STATE UNIVERSITY (US) 2021-09-14 US disclosed
US-20200199166-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF WASHINGTON STATE UNIVERSITY 2020-06-25 US disclosed
US-20180094015-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATION(S) WASHINGTON STATE UNIVERSITY 2018-04-05 US disclosed
US-20180094015-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATION(S) WASHINGTON STATE UNIVERSITY 2018-04-05 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 (3 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-20200199166-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF ACHE, RNASE1, ENGASE HTR2A 4353/4885KCNH2 4763/4885ADRA1A 3415/4885
US-20180094015-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATION(S) ACHE, GUSB, ENGASE HTR2A 4185/4885KCNH2 4788/4885ADRA1A 3256/4885
US-11117918-B2 Enzyme-directed immunostimulant and uses thereof ACHE, RNASE1, ENGASE HTR2A 4353/4885KCNH2 4763/4885ADRA1A 3415/4885

“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.