SCHEMBL2217426

SCHEMBL2217426

C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.50
ADRA2C P18825 5/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
ADRA1D P25100 1/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 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
SCHEMBL2218654 0.82 MEN1 (0.48) CASRADRA2AADRA1ASLC6A2SLC6A4
SCHEMBL2219210 0.76 HPGD (0.49) CASRDRD3DRD2
SCHEMBL13077650 0.75 CASR (0.54) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL15131116 0.75 CASR (0.54) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL2218811 0.75 CASR (0.49) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL2219867 0.74 CASR (0.59) CASRADRA2CADRA2BSLC6A2HTR2C
SCHEMBL2341650 0.74 POLB (0.61) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL5193705 0.74 POLB (0.61) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL15131229 0.74 POLB (0.61) CASRADRA2CADRA1BSLC6A2HTR2C
SCHEMBL2463587 0.74 CASR (0.53) CASRADRA2CADRA1BSLC6A2HTR2C

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 11 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
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 CASR 1/4885ADRA2C 299/4885ADRA2A 269/4885

“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.