SCHEMBL2470182

SCHEMBL2470182

O=C1Nc2ccc(F)c(F)c2C(CC2CC2)(c2ccc(F)cc2)N1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.36
TACR2 P21452 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
PTH1R Q03431 1/20 0.36
RBP4 P02753 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2472241 0.85 ADRA2C (0.35) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2470322 0.84 ADRA2C (0.31) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2470657 0.84 ELOVL6 (0.38) HTR2ANPSR1
SCHEMBL2470485 0.83 ADRA2C (0.32) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2471034 0.83 ADRA2C (0.31) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2469509 0.83 ADRA2C (0.32) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2469414 0.78 MDM2 (0.34) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2473603 0.76 ADRA2C (0.35) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL2471544 0.76 MAPT (0.33) HTR2ANPSR1
SCHEMBL2470477 0.74 CYP46A1 (0.38) HTR2ANPSR1

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 ADRA2C 390/4885TACR2 316/4885ADRA1D 428/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H ADRA2C 390/4885TACR2 316/4885ADRA1D 428/4885

“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.