SCHEMBL8510693

SCHEMBL8510693

N[C@H](CO)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.43
ADRB1 P08588 1/20 0.43
TRPV3 Q8NET8 1/20 0.41
NOTUM Q6P988 1/20 0.40
FAAH O00519 6/20 0.38
PDE2A O00408 1/20 0.37
KMO O15229 2/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL8510697 1.00 ADRB2 (0.43) ADRB2ADRB1TRPV3NOTUMFAAH
SCHEMBL8511122 0.87 IDO1 (0.45) ADRB2ADRB1NOTUM
SCHEMBL8511124 0.87 IDO1 (0.45) ADRB2ADRB1NOTUM
SCHEMBL14981124 0.83 ANPEP (0.38) ADRB2ADRB1NOTUMFAAHPDE2A
SCHEMBL15157681 0.83 SLC6A4 (0.40) ADRB2ADRB1NOTUMFAAHPDE2A
Hydrochloric Acid SCHEMBL15157818 0.82 AKR1C3 (0.39) ADRB2ADRB1FAAHPDE2ADAO
Hydrochloric Acid SCHEMBL28117600 0.82 AKR1C3 (0.39) ADRB2ADRB1FAAHPDE2ADAO
SCHEMBL9570842 0.80 ADRB2 (0.40) ADRB2ADRB1TRPV3NOTUMFAAH
SCHEMBL297668 0.78 SLC6A2 (0.45) KMO
SCHEMBL12497722 0.78 SLC6A2 (0.45) KMO

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 6 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
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
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.