SCHEMBL4154201

SCHEMBL4154201

Cc1nc(-c2ccco2)n(CCc2ccccc2)c(=O)c1CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.62
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HSD17B10 Q99714 4/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 2/20 0.49
TP53 P04637 2/20 0.49
ADORA2A P29274 2/20 0.48
ADORA2B P29275 2/20 0.48
KDM4E B2RXH2 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 7/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NR1I2 O75469 1/20 0.45
HPGD P15428 4/20 0.44

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
SCHEMBL2833039 0.79 CASR (0.78) CASRNR1I2
SCHEMBL4144073 0.79 CASR (0.50) CASRLMNAHSD17B10USP2MAPK1
SCHEMBL4149925 0.78 CASR (0.49) CASRLMNAHSD17B10USP2MAPK1
SCHEMBL4148018 0.78 ALDH1A1 (0.52) CASRLMNASMN1; SMN2HSD17B10USP2
SCHEMBL31060812 0.77 CASR (1.00) CASRLMNASMN1; SMN2HSD17B10USP2
SCHEMBL4139279 0.77 CASR (0.64) CASRLMNANR1I2MEN1KMT2A
SCHEMBL4148922 0.77 CASR (0.67) CASRNR1I2
SCHEMBL4138988 0.77 CASR (0.47) CASRLMNAHSD17B10USP2MAPK1
SCHEMBL4143693 0.76 CASR (0.55) CASRTP53NR1I2
SCHEMBL4142937 0.75 CASR (0.64) CASRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
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
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 CN 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 CASR 12/4885LMNA 1316/4885SMN1; SMN2 4164/4885

“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.