SCHEMBL2469490

SCHEMBL2469490

O=C1Nc2ccc(Cl)cc2C(CC(F)F)(c2ccc(F)cc2)N1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 10/20 0.38
ADAM17 P78536 2/20 0.33
ADAM10 O14672 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
AKR1B1 P15121 3/20 0.33
CYP46A1 Q9Y6A2 2/20 0.32
IDO1 P14902 2/20 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
SCHEMBL2467447 0.90 MAPT (0.36) ELOVL6AKR1B1CYP46A1IDO1
SCHEMBL2470294 0.87 ELOVL6 (0.39) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2472168 0.86 ELOVL6 (0.39) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2470807 0.85 ELOVL6 (0.40) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2470700 0.85 CYP46A1 (0.39) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2470657 0.84 ELOVL6 (0.38) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2470313 0.84 ELOVL6 (0.38) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2471034 0.83 ADRA2C (0.31)
SCHEMBL2470733 0.81 ELOVL6 (0.42) ELOVL6ADAM17ADAM10MMP1MMP2
SCHEMBL2470044 0.81 ELOVL6 (0.42) ELOVL6IDO1

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 13 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-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 ELOVL6 4132/4885ADAM17 1390/4885ADAM10 2003/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H ELOVL6 4132/4885ADAM17 1390/4885ADAM10 2003/4885

“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.