SCHEMBL138275

SCHEMBL138275

CCNCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 3/20 0.38
DHFR P00374 1/20 0.36
IDO1 P14902 1/20 0.35
MAPT P10636 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
PIEZO1 Q92508 1/20 0.34
PDE2A O00408 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL27821151 0.84 HTR2A (0.44) HTR2ASLC6A4KCNH2IDO1MAPT
SCHEMBL17670630 0.83 SLC6A4 (0.52) HTR2ASLC6A4KCNH2DHFRIDO1
SCHEMBL4597627 0.81 PPARG (0.40) HTR2ASLC6A4KCNH2IDO1MAPT
SCHEMBL1599514 0.81 TACR1 (0.54) HTR2ASLC6A4KCNH2IDO1TACR1
SCHEMBL17742275 0.80 ESR1 (0.40) HTR2ASLC6A4KCNH2IDO1MAPT
SCHEMBL1921828 0.80 TACR1 (0.49) MAPTLMNATAS2R14HDAC6NPSR1
SCHEMBL25376437 0.79 DAO (0.42) HTR2ASLC6A4KCNH2
SCHEMBL21419090 0.78 POLQ (0.43) HTR2ASLC6A4KCNH2MAPTCYP3A4
SCHEMBL23528008 0.78 IDO1 (0.50) HTR2ASLC6A4KCNH2IDO1MAPT
SCHEMBL14629998 0.77 MPO (0.39) HTR2ASLC6A4MAPTLMNACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572785-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-02-21 US disclosed
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF BRICKELL BIOTECH, INC. 2016-05-19 US disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-8815917-B2 DP2 antagonist and uses thereof PANMIRA PHARMACEUTICALS, LLC (US) 2014-08-26 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
WO-2013010881-A1 NEW CRTh2 ANTAGONISTS ALMIRALL, S.A. (ES) 2013-01-24 WO disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
EP-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 US 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 (4 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR2A 82/4885SLC6A4 1302/4885KCNH2 1624/4885
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR2A 93/4885SLC6A4 3454/4885KCNH2 2527/4885
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR HTR2A 87/4885SLC6A4 1493/4885KCNH2 1428/4885
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGES2, PTGDR2 HTR2A 242/4885SLC6A4 3429/4885KCNH2 2572/4885

“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.