SCHEMBL3420975

SCHEMBL3420975

CC(C)(C)Nc1cc(-c2ccccc2)nc(Cc2ccc(C3(CO)CCC3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ADORA1 P30542 8/20 0.34
KIT P10721 1/20 0.33
ADORA3 P0DMS8 5/20 0.32
ADORA2A P29274 5/20 0.32
HRH1 P35367 3/20 0.32
HRH4 Q9H3N8 3/20 0.32
ADORA2B P29275 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
BPTF Q12830 1/20 0.30

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
SCHEMBL3235448 0.82 SYK (0.42) SLC6A4SLC6A2SLC6A3ADORA1
SCHEMBL3265322 0.67 PTGS2 (0.38) ADORA1BPTF
SCHEMBL3229954 0.67 IDH2 (0.43) ADORA1TDP1
Dimethylamine SCHEMBL3266676 0.67 SYK (0.40) ADORA1ADORA3ADORA2A
SCHEMBL3235563 0.66 IDO1 (0.41) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3415621 0.66 SYK (0.40) ADORA1ADORA3
SCHEMBL3263101 0.65 SYK (0.41) ADORA1ADORA3ADORA2A
SCHEMBL13456861 0.65 MAPT (0.38) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3419382 0.65 SYK (0.43) ADORA1ADORA3ADORA2A
SCHEMBL3261777 0.64 SYK (0.38) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 SLC6A4 1680/4885SLC6A2 3132/4885SLC6A3 3771/4885

“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.