SCHEMBL2462064

SCHEMBL2462064

COc1cccc([C@@H](C)NCc2ccc(C#N)c(SC)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.50
RXFP1 Q9HBX9 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PLK1 P53350 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPT P10636 1/20 0.39
PFKFB3 Q16875 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL3433090 0.84 CYP2D6 (0.46) CASRNPSR1L3MBTL1PLK1MAPT
SCHEMBL2463100 0.84 CYP2D6 (0.46) CASRNPSR1L3MBTL1PLK1MAPT
SCHEMBL2461100 0.77 CASR (0.61) CASRROCK2ROCK1PFKFB3HTR1A
SCHEMBL2458998 0.74 CASR (0.61) CASRNPSR1HTR1AADRA2BADRA2C
SCHEMBL2458679 0.70 CASR (0.65) CASRMAPTHTR1AADRA2BADRA2C
SCHEMBL14540134 0.68 CASR (0.70) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL15131119 0.68 CASR (0.70) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL14282588 0.67 CASR (0.68) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2219867 0.67 CASR (0.59) CASRPFKFB3HTR1AADRA2BADRA2C
SCHEMBL15131118 0.66 CASR (0.75) CASRHTR1AADRA2BADRA2CSLC6A2

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-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US claimed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 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-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, CNR1 CASR 1/4885RXFP1 402/4885PPARG 1338/4885

“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.