SCHEMBL20022674

SCHEMBL20022674

Cc1cc[nH]c1CN1CCc2c(c3ccccc3n2C(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ EZH2 Q15910 4/20 0.33
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2B P67870 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PRKD3 O94806 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
SCHEMBL18309857 0.86 KCNH2 (0.64) KCNH2HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL20022665 0.84 HTR2A (0.56) KCNH2HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL980 0.80 KCNH2 (0.76) KCNH2HTR2AHTR2CCYP1A2CYP3A4
Fumaric Acid SCHEMBL1534 0.74 KCNH2 (0.67) KCNH2HTR2AHTR2CCYP1A2CYP3A4
Maleic Acid SCHEMBL1533 0.74 KCNH2 (0.67) KCNH2HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL16201649 0.73 CSNK2A2 (0.40) KCNH2HTR2AHTR2CCYP1A2CYP3A4
Alosetron SCHEMBL148316 0.69 HTR2A (0.74) KCNH2HTR2AHTR2CCYP1A2CYP3A4
Alosetron SCHEMBL7371660 0.69 CASP6 (0.74) KCNH2HTR2AHTR2CCYP1A2CYP3A4
Alosetron SCHEMBL311317 0.69 CASP6 (0.74) KCNH2HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL20027463 0.68 KCNH2 (0.57) KCNH2HTR2AHTR2CCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180094015-A1 ENZYME-DIRECTED IMMUNOSTIMULANT AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATION(S) ACHE, GUSB, ENGASE KCNH2 4788/4885HTR2A 4185/4885HTR2C 4443/4885

“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.

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