SCHEMBL4135630

SCHEMBL4135630

COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)CN(Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.50
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADORA2A P29274 1/20 0.46
CLPP Q16740 7/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ABCC1 P33527 1/20 0.42

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
SCHEMBL13851592 0.86 TP53 (0.50) TP53CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL4135270 0.85 CASR (0.56) CYP1A2GAACYP2C9ADORA2ACLPP
SCHEMBL4143434 0.84 TP53 (0.44) TP53GAAALDH1A1POLBMAPT
SCHEMBL4142349 0.83 TP53 (0.51) TP53ALDH1A1POLBMAPTKMT2A
SCHEMBL4143059 0.82 TP53 (0.49) TP53CYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL4143019 0.82 TP53 (0.49) TP53CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL4140446 0.82 PDE10A (0.44) TP53POLB
SCHEMBL4144206 0.81 TP53 (0.51) TP53ALDH1A1POLBMAPTKMT2A
SCHEMBL4135003 0.79 P2RX3 (0.46) TP53POLB
SCHEMBL4143952 0.77 CLPP (0.59) C5AR1CLPP

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB C5AR1 1658/4885TP53 3696/4885CYP1A2 3432/4885

“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.