SCHEMBL2470397

SCHEMBL2470397

CCCC1(c2ccc(F)c(F)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.37
AKR1B1 P15121 3/20 0.34
IDO1 P14902 2/20 0.33
ELOVL6 Q9H5J4 5/20 0.32
HTR7 P34969 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
CBX7 O95931 1/20 0.31
CDYL2 Q8N8U2 1/20 0.31
CDYL Q9Y232 1/20 0.31
CDY1; CDY1B Q9Y6F8 1/20 0.31
CYP2C9 P11712 2/20 0.31
CNR2 P34972 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2470195 0.92 CYP46A1 (0.36) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2470700 0.92 CYP46A1 (0.39) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2471643 0.88 CYP46A1 (0.39) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2470320 0.84 AKR1B1 (0.33) CYP46A1AKR1B1IDO1ELOVL6PTGDR2
SCHEMBL2469599 0.83 CYP46A1 (0.39) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2470294 0.83 ELOVL6 (0.39) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2472168 0.82 ELOVL6 (0.39) CYP46A1AKR1B1IDO1ELOVL6
SCHEMBL2470807 0.81 ELOVL6 (0.40) CYP46A1AKR1B1IDO1ELOVL6
SCHEMBL2467632 0.81 ELOVL6 (0.40) CYP46A1AKR1B1IDO1ELOVL6HTR7
SCHEMBL2469105 0.80 AKR1B1 (0.36) AKR1B1HTR7PTGDR2SMN1; SMN2

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 14 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-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 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.