SCHEMBL1990848

SCHEMBL1990848

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.50
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
F2 P00734 1/20 0.49

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
SCHEMBL20482380 0.89 KMT2A (0.57) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL382703 0.87 SMPD1 (0.59) LMNAALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL27703695 0.87 MRGPRX4 (0.57) KMT2ALMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL3960907 0.87 KMT2A (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL30141105 0.87 KMT2A (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL6287009 0.85 KMT2A (0.64) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL6949611 0.84 MAOB (0.59) TDP1LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL27768552 0.84 RAB9A (0.53) LMNAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3960881 0.84 LMNA (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1647432 0.84 TDP1 (0.58) SLC6A2SLC6A3KMT2ATDP1LMNA

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-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US disclosed
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US disclosed
CN-102089262-A Derivatives of 3- (2-hydroxy-5-methylphenyl) -N, N-diisopropyl-3-amphetamine and methods of use thereof CONCERT PHARMACEUTICALS INC 2011-06-08 CN disclosed
WO-2009126844-A2 DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2009-10-15 WO 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
WO-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO 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 (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 SLC6A2 1728/4885SLC6A3 1515/4885KMT2A 3976/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR SLC6A2 1816/4885SLC6A3 1559/4885KMT2A 3995/4885
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 SLC6A2 1858/4885SLC6A3 1673/4885KMT2A 3755/4885
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF ADRB3, CHRM3, QDPR SLC6A2 152/4885SLC6A3 20/4885KMT2A 2758/4885

“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.