SCHEMBL20705751

SCHEMBL20705751

CCOc1cc2c(c3c1CNCC3)C(=O)C=CC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM3 P20309 2/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32

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
SCHEMBL20705772 0.89 ACHE (0.39) HTR6ACHECHRM2CHRM1ABCC4
SCHEMBL1124468 0.66 HTR2A (0.50) ACHECHRM2CHRM1ABCC4ABCB11
SCHEMBL29086789 0.65 HTR2A (0.47) HTR6RAD52KMT2AACHECHRM2
Hydrochloric Acid SCHEMBL5791299 0.64 HTR2A (0.49) ACHECHRM2CHRM1ABCC4ABCB11
SCHEMBL1779822 0.63 TSHR (0.41) ACHEKDM4EALDH1A1
SCHEMBL24194104 0.62 PIM1 (0.43) KMT2AKDM4EALDH1A1
SCHEMBL30574283 0.61 TOP1 (0.66) KMT2ACDC25BKDM4EALDH1A1
SCHEMBL24194098 0.61 TOP1 (0.66) KMT2ACDC25BKDM4EALDH1A1
SCHEMBL8185445 0.61 CD44 (0.51) RAD52KMT2AHTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL8189446 0.60 CD44 (0.50) RAD52KMT2AHTR2AHTR2CHTR2B

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-10197557-B2 Small molecules for endothelial cell activation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-05 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-10197557-B2 Small molecules for endothelial cell activation LIPG, VCAM1, SELE HTR6 3342/4885RAD52 4287/4885KMT2A 3523/4885

“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.