SCHEMBL3801388

SCHEMBL3801388

Cc1ccc(CC(C)(C)N)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.48
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RIPK1 Q13546 1/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ADRA1D P25100 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9917335 0.84 PRMT6 (0.50) PRMT6RIPK1THRBTP53ADRA1D
SCHEMBL19176979 0.78 RIPK1 (0.46) PRMT6RIPK1THRBTP53ADRA1D
SCHEMBL25027449 0.77 PRMT6 (0.44) PRMT6SLC6A2RIPK1THRBTP53
SCHEMBL24297618 0.77 PRMT6 (0.44) PRMT6RIPK1THRBTP53ADRA1D
SCHEMBL1848012 0.77 BLM (0.50) PRMT6RIPK1THRBTP53ALDH1A1
SCHEMBL3804047 0.76 SLC6A2 (0.47) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL128771 0.73
SCHEMBL23665620 0.72 PRMT6 (0.58) PRMT6RIPK1THRBTP53ADRA1D
SCHEMBL10017405 0.72 PRMT6 (0.65) PRMT6SLC6A2RIPK1THRBTP53
Hydrochloric Acid SCHEMBL13731096 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB PRMT6 3286/4885SLC6A2 1886/4885TAAR1 3806/4885

“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.