SCHEMBL21779330

SCHEMBL21779330

CCCCCCCC(CCCCC)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
NR1I2 O75469 1/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGER2 P43116 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.31
CSNK1E P49674 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
SCHEMBL19388156 1.00 MEN1 (0.42) MEN1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL21030358 1.00 MEN1 (0.42) MEN1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL8370472 0.87 NR1I2 (0.41) TSHRNR1I2LMNASLC2A1CSNK1E
SCHEMBL22795551 0.85 GABBR2 (0.46) MEN1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL21726771 0.84 MEN1 (0.44) MEN1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL27422072 0.80 NR1I2 (0.37) HTTKMT2ANR1I2LMNASLC2A1
SCHEMBL20372803 0.80 NR1I2 (0.37) HTTKMT2ANR1I2LMNASLC2A1
SCHEMBL28288142 0.79 NR1I2 (0.46) NR1I2LMNASLC2A1CSNK1E
SCHEMBL20372927 0.77 NR1I2 (0.36) NR1I2LMNASLC2A1CSNK1E
SCHEMBL28224807 0.77 NR1I2 (0.44) NR1I2LMNASLC2A1CSNK1E

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-10577368-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-03 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-10577368-B2 A3 adenosine receptor agonists ADORA3, ADORA2B, ADORA1 MEN1 3492/4885TSHR 289/4885HTT 2427/4885

“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.