SCHEMBL2473389

SCHEMBL2473389

O=C1Nc2ccc(Cl)cc2C(c2ccc(Br)cc2)(C2CC2)N1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 4/20 0.37
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
CCKBR P32239 1/20 0.36
PPARG P37231 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2471837 0.90 ELOVL6 (0.39) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL22968848 0.90 ELOVL6 (0.39) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL2467594 0.89 CYP46A1 (0.38) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL2467309 0.87 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL29410287 0.87 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL2470993 0.87 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL2471187 0.81 MDM2 (0.44) MEN1KMT2AAKR1B1MDM2IDO1
SCHEMBL2468966 0.81 CYP2C19 (0.36) MAPTKMT2AAKR1B1
SCHEMBL2468741 0.81 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL2472750 0.78 CYP46A1 (0.43) CYP46A1NR1I2NR3C1PGRADRB1

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 11 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
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-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
EP-1858520-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2007-11-28 EP 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 CYP46A1 3124/4885NR1I2 1438/4885NR3C1 4247/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H CYP46A1 3124/4885NR1I2 1438/4885NR3C1 4247/4885

“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.