SCHEMBL1038470

SCHEMBL1038470

Fc1ccc(-c2ccccc2CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
DPP4 P27487 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NR4A2 P43354 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HTR7 P34969 1/20 0.39
TACR1 P25103 2/20 0.38
MC4R P32245 4/20 0.38
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
MAPK14 Q16539 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
SCHEMBL28961512 0.87 DPP4 (0.48) DPP4HTR7KMT2AKCNA5KCNH2
SCHEMBL471 0.82 DPP4 (0.60) DPP4SLC6A4SLC6A3HTR7TACR1
SCHEMBL31163822 0.82 DPP4 (0.60) DPP4SLC6A4SLC6A3HTR7TACR1
SCHEMBL24665246 0.81 CD274 (0.49) HTR2CPTGS2PTGS1SLC6A4SLC6A3
SCHEMBL23078248 0.81 HTR2C (0.36) HTR2CPTGS2PTGS1FFAR1FFAR4
SCHEMBL1041243 0.81 PDK2 (0.49) HTR2CPTGS2PTGS1DPP4FFAR1
SCHEMBL1309773 0.81 ALDH1A1 (0.48) DPP4FFAR1FFAR4KMT2A
SCHEMBL2902236 0.80 DPP4 (0.58) DPP4SLC6A4SLC6A3HTR7TACR1
SCHEMBL4429566 0.79 PTGS2 (0.43) HTR2CPTGS2PTGS1DPP4FFAR1
SCHEMBL9653845 0.79 PTGS2 (0.43) HTR2CPTGS2PTGS1DPP4FFAR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
EP-1919916-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE Novartis AG (CH) 2008-05-14 EP disclosed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
WO-2007024945-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2007-03-01 WO disclosed
WO-2007024945-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2007-03-01 WO disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 HTR2C 3757/4885PTGS2 264/4885PTGS1 97/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 HTR2C 3757/4885PTGS2 264/4885PTGS1 97/4885

“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.