SCHEMBL3886014

SCHEMBL3886014

COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.56
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
GLRA1 P23415 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
AVPR2 P30518 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
MC3R P41968 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5501425 1.00 CASR (0.56) CASRMLNRABCB11ADRB1ADORA3
SCHEMBL3924565 0.92 CASR (0.52) CASRMLNRABCB11ADRB1ADORA3
SCHEMBL13868163 0.90 CASR (0.55) CASRKRAS
SCHEMBL3934356 0.89 CASR (0.71) CASRMLNRABCB11ADRB1ADORA3
SCHEMBL3927701 0.88 CASR (0.52) CASRMLNRABCB11ADRB1ADORA3
SCHEMBL13880019 0.87 CASR (0.55) CASRKRASSOS1
SCHEMBL3934377 0.86 CASR (0.51) CASRKRASSOS1
SCHEMBL3923069 0.85 CASR (0.53) CASRHRH1KRASSOS1
SCHEMBL13868192 0.85 CASR (0.52) CASRKRASSOS1
SCHEMBL3886437 0.84 CASR (0.77) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP claimed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 WO claimed
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-8779004-B2 Stable emulsion formulations AMGEN, INC. (US) 2014-07-15 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-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-20070249520-A1 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-10-25 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 (4 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 2/4885MLNR 472/4885ABCB11 1650/4885
US-20070249520-A1 STABLE EMULSION FORMULATIONS CALCR, CALCB, CALCRL CASR 153/4885MLNR 1001/4885ABCB11 1769/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885MLNR 443/4885ABCB11 1832/4885
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 24/4885MLNR 3252/4885ABCB11 1527/4885

“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.