SCHEMBL2467447

SCHEMBL2467447

O=C1Nc2ccc(Cl)cc2C(CC(F)F)(c2ccccc2)N1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
AKR1B1 P15121 3/20 0.33
ELOVL6 Q9H5J4 2/20 0.33
PGR P06401 2/20 0.33
CYP46A1 Q9Y6A2 3/20 0.33
NR1I2 O75469 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 2/20 0.32
HTR2A P28223 2/20 0.32
MGAM O43451 1/20 0.32
HTR1A P08908 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL2469490 0.90 ELOVL6 (0.38) AKR1B1ELOVL6CYP46A1IDO1
SCHEMBL2471501 0.86 CYP46A1 (0.38) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2472692 0.85 MAPT (0.37) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL13087801 0.84 MAPT (0.36) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2471643 0.84 CYP46A1 (0.39) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2470308 0.84 MAPT (0.36) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2471238 0.83 MAPT (0.36) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2470477 0.83 CYP46A1 (0.38) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2472970 0.83 MEN1 (0.36) MAPTAKR1B1ELOVL6PGRCYP46A1
SCHEMBL2472965 0.82 ELOVL6 (0.35) MAPTAKR1B1ELOVL6PGRCYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP claimed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US claimed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US claimed
EP-1858520-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2007-11-28 EP claimed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 WO claimed
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 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 (2 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-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H MAPT 1028/4885AKR1B1 2683/4885ELOVL6 4132/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H MAPT 1028/4885AKR1B1 2683/4885ELOVL6 4132/4885

“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.