SCHEMBL3922202

SCHEMBL3922202

COc1ccc(-c2cc(CN[C@H](C)c3cccc4ccccc34)ccc2OC)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.48
SOS1 Q07889 5/20 0.43
KRAS P01116 4/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
EGFR P00533 1/20 0.42
PTGES O14684 1/20 0.42

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 0.94 CASR (0.46) CASRSOS1KRASROCK2ROCK1
SCHEMBL3932217 0.91 CASR (0.47) CASRSOS1KRASROCK2ROCK1
SCHEMBL3931175 0.90 CASR (0.52) CASRSOS1KRASROCK2ROCK1
SCHEMBL13879973 0.89 CASR (0.47) CASRSOS1KRASROCK2ROCK1
SCHEMBL3922366 0.88 CASR (0.53) CASRSOS1KRASROCK2ROCK1
SCHEMBL3935017 0.87 CASR (0.43) CASRSOS1KRASROCK2ROCK1
SCHEMBL13868192 0.87 CASR (0.52) CASRSOS1KRASEGFR
SCHEMBL3925480 0.86 F2 (0.42) CASR
SCHEMBL3922348 0.86 PDE4B (0.50) CASRSOS1KRASROCK2ROCK1
SCHEMBL13868163 0.86 CASR (0.55) CASRKRAS

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 2/4885SOS1 825/4885KRAS 1365/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885SOS1 1008/4885KRAS 1358/4885
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 24/4885SOS1 563/4885KRAS 2546/4885

“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.