SCHEMBL3922153

SCHEMBL3922153

COc1cccc([C@@H](C)NCc2ccc(OC)c(-c3ccc4nccnc4c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.67
PDE4B Q07343 1/20 0.48
ROCK1 Q13464 2/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL3922135 0.90 CASR (0.64) CASR
SCHEMBL3933928 0.90 CASR (0.64) CASRPDE4B
SCHEMBL13868597 0.90 CASR (0.64) CASRPDE4B
SCHEMBL3931889 0.87 CASR (0.66) CASRPDE4BROCK1ROCK2
SCHEMBL3930331 0.87 CASR (0.66) CASRPDE4BROCK1ROCK2
SCHEMBL13868191 0.87 CASR (0.76) CASRPDE4B
SCHEMBL3924066 0.86 CASR (0.77) CASRPDE4B
SCHEMBL13868172 0.85 CASR (0.80) CASRPDE4B
SCHEMBL3919230 0.85 CASR (0.62) CASRPDE4BROCK1ROCK2
SCHEMBL13868196 0.85 CASR (0.76) CASRPDE4BROCK1MAP4K4PRKCG

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-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 claimed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 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 2/4885PDE4B 656/4885ROCK1 627/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885PDE4B 653/4885ROCK1 675/4885
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 24/4885PDE4B 364/4885ROCK1 780/4885

“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.