SCHEMBL8510797

SCHEMBL8510797

N#Cc1cc([C@H](N)CO)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
ADRB1 P08588 2/20 0.46
TRPV3 Q8NET8 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRB3 P13945 1/20 0.35
S1PR3 Q99500 2/20 0.35
AR P10275 1/20 0.35
FAAH O00519 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
IDO1 P14902 2/20 0.34
VNN1 O95497 1/20 0.34
ACLY P53396 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL8510799 1.00 ADRB2 (0.46) ADRB2ADRB1TRPV3PTGDR2CYP1A2
SCHEMBL15157224 0.83 ADRB2 (0.40) ADRB2ADRB1TRPV3PTGDR2CYP1A2
SCHEMBL16649358 0.83 ADRB2 (0.40) ADRB2ADRB1TRPV3PTGDR2CYP1A2
SCHEMBL16953240 0.80 ADRB2 (0.43) ADRB2ADRB1TRPV3PTGDR2CYP1A2
SCHEMBL9020825 0.79 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP3A4TSHR
SCHEMBL4072121 0.78 CES2 (0.42) ADRB2
SCHEMBL8511287 0.78 CES2 (0.42) ADRB2
SCHEMBL1240016 0.77 ADRB2 (0.42) ADRB2ADRB1TRPV3CYP1A2CYP3A4
SCHEMBL29809015 0.77 ADRB2 (0.42) ADRB2ADRB1TRPV3CYP1A2CYP3A4
SCHEMBL28802853 0.77 ADRB2 (0.42) ADRB2ADRB1TRPV3CYP1A2CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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 (1 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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 ADRB2 1632/4885ADRB1 2033/4885TRPV3 4298/4885

“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.