SCHEMBL20027463

SCHEMBL20027463

CCn1c2c(c3ccccc31)C(=O)N(Cc1[nH]cnc1C)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
ADRA1A P35348 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
HTR3A P46098 1/20 0.57
CASP6 P55212 1/20 0.56
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35

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 0.88 HTR2A (0.74) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL311317 0.87 CASP6 (0.74) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL7371660 0.87 CASP6 (0.74) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL702 0.86 KCNH2 (0.78) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL20022665 0.85 HTR2A (0.56) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL3321223 0.82 KCNH2 (0.54) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL2229995 0.81 KCNH2 (0.65) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL766 0.80 KCNH2 (0.75) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Fumaric Acid SCHEMBL582 0.80 KCNH2 (0.68) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Maleic Acid SCHEMBL581 0.80 KCNH2 (0.68) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C

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 4788/4885ADRA1A 3256/4885CYP1A2 320/4885

“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.