SCHEMBL2463100

SCHEMBL2463100

CSc1nc(CN[C@H](C)c2ccccc2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
NOS2 P35228 2/20 0.46
CASR P41180 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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 1.00 CYP2D6 (0.46) CYP2D6SLC6A2SLC6A4NOS2CASR
SCHEMBL2462064 0.84 CASR (0.50) SLC6A2CASRL3MBTL1HTR1AOPRM1
SCHEMBL14270043 0.73 TSHR (0.43) CYP2D6SLC6A2SLC6A4NOS2ALDH1A1
SCHEMBL14469653 0.73 CASR (0.56) CYP2D6SLC6A2SLC6A4CASRALDH1A1
SCHEMBL6187010 0.70 TSHR (0.42) CYP2D6SLC6A2SLC6A4NOS2ALDH1A1
SCHEMBL6186410 0.70 TSHR (0.45) CYP2D6SLC6A2SLC6A4NOS2ALDH1A1
SCHEMBL3130880 0.69 TSHR (0.42) CYP2D6SLC6A2SLC6A4NOS2ALDH1A1
SCHEMBL3730227 0.67 CASR (0.50) CYP2D6SLC6A2SLC6A4CASRALDH1A1
SCHEMBL3730225 0.67 CASR (0.50) CYP2D6SLC6A2SLC6A4CASRALDH1A1
SCHEMBL25265717 0.67 HPGD (0.36) CYP2D6SLC6A2SLC6A4NOS2ALDH1A1

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 CYP2D6 2156/4885SLC6A2 2769/4885SLC6A4 2626/4885

“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.