SCHEMBL3932091

SCHEMBL3932091

COc1ccc(C=O)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.57
SLC2A1 P11166 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
PDE5A O76074 2/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HPSE Q9Y251 2/20 0.46

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
SCHEMBL6040706 0.82 AMY1A (0.57) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL20125069 0.81 AMY1A (0.63) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL15643913 0.81 SMN1; SMN2 (0.64) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL2090887 0.81 AMY1A (0.63) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL3332738 0.80 AMY1A (0.67) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL2096956 0.79 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL31027930 0.79 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL15829537 0.78 AMY1A (0.59) AMY1ASLC2A1NPC1RAB9AALDH1A1
SCHEMBL856385 0.76 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27072943 0.75 AMY1A (0.59) AMY1ASLC2A1NPC1RAB9AALDH1A1

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 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
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 EP disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US disclosed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 WO 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 AMY1A 4090/4885SLC2A1 2654/4885NPC1 2679/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR AMY1A 4489/4885SLC2A1 2621/4885NPC1 2793/4885
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 AMY1A 2005/4885SLC2A1 2340/4885NPC1 2850/4885

“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.