SCHEMBL2219210

SCHEMBL2219210

C[C@@H](NCc1csc(-c2ccccc2)n1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CASR P41180 2/20 0.47
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL12513730 0.92 CASR (0.45) HPGDCASRLMNAALDH1A1
SCHEMBL15653639 0.91 GFER (0.47) HPGDCASRRAB9ANPC1ALDH1A1
SCHEMBL2217032 0.91 GFER (0.47) HPGDCASRRAB9ANPC1ALDH1A1
SCHEMBL2217384 0.82 HPGD (0.56) HPGDCASRRAB9ALMNANPC1
SCHEMBL3657245 0.82 HPGD (0.56) HPGDCASRRAB9ALMNANPC1
SCHEMBL14409007 0.80 HPGD (0.59) HPGDRAB9ALMNANPC1ALDH1A1
SCHEMBL15131116 0.78 CASR (0.54) CASRLMNAALDH1A1DRD2DRD3
SCHEMBL13077650 0.78 CASR (0.54) CASRLMNAALDH1A1DRD2DRD3
SCHEMBL13509996 0.77 HPGD (0.53) HPGDRAB9ALMNANPC1ALDH1A1
SCHEMBL2341650 0.77 POLB (0.61) CASRLMNADRD2DRD3

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 9 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
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 HPGD 1840/4885CASR 1/4885RAB9A 1113/4885

“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.