SCHEMBL2477100

SCHEMBL2477100

CN(C)CCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.75
MCHR1 Q99705 1/20 0.67
EGFR P00533 2/20 0.61
HRH3 Q9Y5N1 1/20 0.61
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
LSS P48449 1/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55

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
SCHEMBL10800722 0.91 LSS (0.70) LTA4HMCHR1EGFRHRH3LSS
SCHEMBL29985909 0.90 LTA4H (0.62) LTA4HMCHR1EGFRLSSCHRNB2
SCHEMBL7370378 0.88 LSS (0.61) LTA4HMCHR1EGFRHRH3LSS
SCHEMBL1959363 0.88 CHRNB2 (0.64) LTA4HMCHR1LMNACHRNB2CHRNA4
SCHEMBL9097342 0.88 EGFR (0.69) LTA4HMCHR1EGFRESR1GAA
Hydrochloric Acid SCHEMBL7371413 0.87 LSS (0.59) LTA4HMCHR1EGFRHRH3LSS
SCHEMBL9099717 0.86 LTA4H (0.57) LTA4HMCHR1EGFRESR1RAB9A
SCHEMBL11253539 0.86 LTA4H (0.81) LTA4HHRH3KEAP1NFE2L2LSS
SCHEMBL13588339 0.86 LTA4H (1.00) LTA4HHRH3KEAP1NFE2L2LSS
SCHEMBL1405661 0.85 LTA4H (0.85) LTA4HEGFRHRH3KEAP1NFE2L2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
EP-1641745-B1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORP (FI) 2010-04-14 EP disclosed
US-7390923-B2 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2008-06-24 US disclosed
US-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2007-05-31 US disclosed
EP-1641745-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS Orion Corporation (FI) 2006-04-05 EP disclosed
WO-2005000794-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2005-01-06 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-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators NR5A1, FSHR, GNRHR LTA4H 1034/4885MCHR1 674/4885EGFR 2465/4885
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 LTA4H 2825/4885MCHR1 3512/4885EGFR 2847/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 LTA4H 3218/4885MCHR1 885/4885EGFR 171/4885

“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.