SCHEMBL2219867

SCHEMBL2219867

COc1cccc([C@@H](C)NCc2c[nH]c(-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.59
HTR1A P08908 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
HTR6 P50406 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PFKFB3 Q16875 5/20 0.44
NR1H2 P55055 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
SCHEMBL2218654 0.86 MEN1 (0.48) CASRHTR1ASLC6A2OPRM1DRD3
SCHEMBL2217835 0.76 CASR (0.60) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL3654658 0.76 CASR (0.60) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2458679 0.75 CASR (0.65) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2461100 0.75 CASR (0.61) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2458998 0.74 CASR (0.61) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2217426 0.74 CASR (0.50) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL3923152 0.72 CASR (0.88) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL10355347 0.72 DCUN1D1 (0.49) NR1H2NR1H3
SCHEMBL7146244 0.71 NR1H2 (0.58) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US claimed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US claimed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 CASR 1/4885HTR1A 593/4885ADRA2B 367/4885

“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.