SCHEMBL3922348

SCHEMBL3922348

COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.50
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
CASR P41180 5/20 0.46
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SOS1 Q07889 3/20 0.43
KRAS P01116 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL3933533 0.90 PDE4B (0.41) PDE4BGALR3NR2F2CASRUSP1
SCHEMBL13868197 0.89 CASR (0.53) PDE4BCASRSOS1KRAS
SCHEMBL13868177 0.89 CASR (0.51) PDE4BCASRUSP1WDR48CYP11B1
SCHEMBL3932217 0.87 CASR (0.47) CASRSOS1KRASROCK2ROCK1
SCHEMBL3922202 0.86 CASR (0.48) CASRSOS1KRASROCK2ROCK1
SCHEMBL3922139 0.86 PTGES (0.49) CASRUSP1WDR48CYP11B1
SCHEMBL3921186 0.85 SOS1 (0.47) PDE4BCASRSOS1KRASROCK2
SCHEMBL3932544 0.85 USP1 (0.43) CASRUSP1WDR48CYP11B1CYP11B2
SCHEMBL3921336 0.85 CASR (0.57) PDE4BCASR
SCHEMBL13868192 0.85 CASR (0.52) CASRSOS1KRAS

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 PDE4B 656/4885GALR3 327/4885NR2F2 1448/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR PDE4B 653/4885GALR3 319/4885NR2F2 1307/4885
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 PDE4B 364/4885GALR3 1675/4885NR2F2 1672/4885

“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.