SCHEMBL2472161

SCHEMBL2472161

CCC1(C(F)(F)F)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.42
AKR1B1 P15121 3/20 0.39
IDO1 P14902 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ELOVL6 Q9H5J4 7/20 0.36
PGR P06401 2/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 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

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
SCHEMBL2467868 0.90 CYP46A1 (0.43) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2470319 0.88 CYP46A1 (0.42) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2470819 0.84 CYP46A1 (0.37) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2469599 0.81 CYP46A1 (0.39) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2467575 0.81 IDO1 (0.43) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2471501 0.80 CYP46A1 (0.38) CYP46A1AKR1B1IDO1ELOVL6PGR
SCHEMBL2470294 0.79 ELOVL6 (0.39) CYP46A1AKR1B1IDO1ELOVL6PGR
SCHEMBL2467632 0.79 ELOVL6 (0.40) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2468741 0.78 CYP46A1 (0.37) CYP46A1AKR1B1IDO1SMN1; SMN2ELOVL6
SCHEMBL2467289 0.78 PGR (0.40) CYP46A1AKR1B1IDO1ELOVL6PGR

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 3124/4885AKR1B1 2683/4885IDO1 1782/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H CYP46A1 3124/4885AKR1B1 2683/4885IDO1 1782/4885

“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.