SCHEMBL3933801

SCHEMBL3933801

C[C@@H](NCc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.53
ADRA2C P18825 2/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2C P28335 2/20 0.52
SLC6A4 P31645 2/20 0.52
OPRM1 P35372 2/20 0.52
DRD3 P35462 2/20 0.52
MLNR O43193 1/20 0.52
ABCB11 O95342 1/20 0.52
ADRB1 P08588 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
CHRM3 P20309 1/20 0.52
GLRA1 P23415 1/20 0.52
AVPR2 P30518 1/20 0.52
HRH1 P35367 1/20 0.52
MC3R P41968 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL13880061 0.92 CASR (0.47) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3924588 0.90 CASR (0.53) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3925958 0.89 CASR (0.62) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL16548095 0.87 CASR (0.53) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3934356 0.87 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL16540169 0.86 CASR (0.54) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL13077646 0.85 CASR (0.60) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3923204 0.85 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3924584 0.83 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3926029 0.82 CASR (0.74) CASRHDAC6

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 13 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-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 2/4885ADRA2C 524/4885SLC6A2 1728/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885ADRA2C 579/4885SLC6A2 1816/4885
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 24/4885ADRA2C 2652/4885SLC6A2 1858/4885

“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.