SCHEMBL2469609

SCHEMBL2469609

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
ELOVL6 Q9H5J4 4/20 0.37
CYP46A1 Q9Y6A2 3/20 0.36
HTR2A P28223 2/20 0.36
MGAM O43451 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
AKR1B1 P15121 3/20 0.35
PGR P06401 2/20 0.35
NR1I2 O75469 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
OPRK1 P41145 2/20 0.35
NR3C1 P04150 1/20 0.35
ADRB1 P08588 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL2470733 0.89 ELOVL6 (0.42) MAPTPKMELOVL6CYP46A1HTR2A
SCHEMBL2470730 0.86 ELOVL6 (0.42) MAPTPKMELOVL6CYP46A1HTR2A
SCHEMBL2474367 0.83 MDM2 (0.41) MAPTELOVL6PDK2IDO1
SCHEMBL2471501 0.82 CYP46A1 (0.38) MAPTELOVL6CYP46A1HTR2AMGAM
SCHEMBL2472692 0.81 MAPT (0.37) MAPTELOVL6CYP46A1HTR2AMGAM
SCHEMBL13087801 0.81 MAPT (0.36) MAPTELOVL6CYP46A1HTR2AAKR1B1
SCHEMBL2471643 0.81 CYP46A1 (0.39) MAPTELOVL6CYP46A1HTR7AKR1B1
SCHEMBL2467594 0.81 CYP46A1 (0.38) MAPTELOVL6CYP46A1HTR2AAKR1B1
SCHEMBL2467447 0.81 MAPT (0.36) MAPTELOVL6CYP46A1HTR2AMGAM
SCHEMBL2470308 0.81 MAPT (0.36) MAPTELOVL6CYP46A1HTR2AMGAM

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 17 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-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-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-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
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
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 1028/4885PKM 4106/4885ELOVL6 4132/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H MAPT 1028/4885PKM 4106/4885ELOVL6 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.