SCHEMBL4152748

SCHEMBL4152748

COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)C(C)(C)CCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
CASR P41180 10/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
NR1I2 O75469 1/20 0.39
AVPR1B P47901 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4142831 0.86 CASR (0.59) CASR
SCHEMBL4142349 0.82 TP53 (0.51) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4154469 0.80 TP53 (0.48) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4143395 0.78 CASR (0.65) CASR
SCHEMBL13851592 0.77 TP53 (0.50) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4143019 0.77 TP53 (0.49) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4143059 0.77 TP53 (0.49) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4144206 0.76 TP53 (0.51) TP53CASRNPSR1MAPTHSP90AA1
SCHEMBL4135896 0.75 TP53 (0.43) TP53CASRHCRTR1HCRTR2NR1I2
SCHEMBL5800196 0.75 CASR (0.69) TP53CASRMAPTALDH1A1LMNA

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB TP53 3696/4885CASR 12/4885NPSR1 920/4885

“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.