SCHEMBL3922522

SCHEMBL3922522

CCOC(=O)c1ccc(-c2cc(CN[C@H](C)c3cccc(OC)c3)ccc2OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.66
ROCK1 Q13464 5/20 0.45
PRKG1 Q13976 4/20 0.45
RPS6KA5 O75582 3/20 0.45
PRKACA P17612 3/20 0.45
RPS6KB1 P23443 3/20 0.45
CDK2 P24941 3/20 0.45
MAPK1 P28482 3/20 0.45
AKT2 P31751 3/20 0.45
GSK3A P49840 3/20 0.45
GSK3B P49841 3/20 0.45
PRKX P51817 3/20 0.45
PRKCD Q05655 3/20 0.45
PRKG2 Q13237 3/20 0.45
PKN2 Q16513 3/20 0.45
CDC42BPA Q5VT25 3/20 0.45
HIPK4 Q8NE63 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
SGK2 Q9HBY8 3/20 0.45
AKT1 P31749 2/20 0.45

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
SCHEMBL3923161 0.91 CASR (0.64) CASRMAPK1
SCHEMBL3931836 0.88 CASR (0.69) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL3922534 0.86 CASR (0.67) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL13868172 0.85 CASR (0.80) CASR
SCHEMBL3919737 0.83 CASR (0.77) CASR
SCHEMBL3925181 0.83 CASR (0.47) CASRROCK1MAPK1ROCK2
SCHEMBL13868165 0.82 CASR (0.79) CASR
SCHEMBL3930272 0.82 CASR (0.76) CASR
SCHEMBL13868191 0.82 CASR (0.76) CASR
SCHEMBL3925715 0.82 CASR (0.65) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US claimed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US claimed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. 2005-06-30 US disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 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 (3 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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885ROCK1 627/4885PRKG1 399/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885ROCK1 675/4885PRKG1 405/4885
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion PTH1R, PTMS, SOST CASR 24/4885ROCK1 780/4885PRKG1 456/4885

“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.