SCHEMBL3935017

SCHEMBL3935017

CCN(CC)CCCOc1ccc(-c2cc(CN[C@H](C)c3cccc4ccccc34)ccc2OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.43
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SOS1 Q07889 5/20 0.37
KRAS P01116 4/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
EGFR P00533 1/20 0.36
PTGES O14684 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
SCHEMBL3920287 0.89 CASR (0.46) CASRROCK2ROCK1SOS1KRAS
SCHEMBL3931187 0.88 CASR (0.55) CASRATMTLR9TLR8TLR7
SCHEMBL13868508 0.88 CASR (0.42) CASRROCK2ROCK1SOS1KRAS
SCHEMBL3922202 0.87 CASR (0.48) CASRROCK2ROCK1SOS1KRAS
SCHEMBL3922588 0.85 CASR (0.58) CASRATMROCK2ROCK1
SCHEMBL3931175 0.83 CASR (0.52) CASRROCK2ROCK1SOS1KRAS
SCHEMBL3925480 0.83 F2 (0.42) CASR
SCHEMBL3932217 0.83 CASR (0.47) CASRROCK2ROCK1SOS1KRAS
SCHEMBL13879973 0.81 CASR (0.47) CASRROCK2ROCK1SOS1KRAS
SCHEMBL3922366 0.80 CASR (0.53) CASRROCK2ROCK1SOS1KRAS

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 8 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-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-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 2/4885ATM 4317/4885TLR9 801/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885ATM 4144/4885TLR9 895/4885
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 24/4885ATM 3320/4885TLR9 2532/4885

“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.