SCHEMBL1569977

SCHEMBL1569977

NCC/C=C\c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
CHAT P28329 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 2/20 0.40
NFE2L2 Q16236 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RELA Q04206 1/20 0.40
PNMT P11086 1/20 0.39

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
SCHEMBL8325858 1.00 TAAR1 (0.45) TAAR1CHATGRIK1GRIK2ALDH1A1
SCHEMBL1569978 1.00 TAAR1 (0.45) TAAR1CHATGRIK1GRIK2ALDH1A1
SCHEMBL12426097 0.83 ALDH1A1 (0.46) TAAR1CHATGRIK1GRIK2ALDH1A1
SCHEMBL15539237 0.80 CHAT (0.44) CHATGRIK1GRIK2ALDH1A1GRIN1
SCHEMBL5254661 0.80 ALDH1A1 (0.48) CHATGRIK1GRIK2ALDH1A1GRIN1
SCHEMBL5254658 0.80 ALDH1A1 (0.48) CHATGRIK1GRIK2ALDH1A1GRIN1
SCHEMBL5319574 0.80 CHAT (0.44) CHATGRIK1GRIK2ALDH1A1GRIN1
SCHEMBL20604271 0.80 TLR8 (0.45) CHATGRIK1GRIK2ALDH1A1HDAC1
SCHEMBL20604275 0.80 TLR8 (0.45) CHATGRIK1GRIK2ALDH1A1HDAC1
SCHEMBL1800209 0.77 TDP1 (0.47) ALDH1A1GRIN1GRIN2BKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
EP-2826774-B1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC (US) 2016-05-25 EP disclosed
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2015-08-20 US disclosed
US-9096567-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2015-08-04 US disclosed
EP-2826774-A1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives Array Biopharma, Inc. (US) 2015-01-21 EP disclosed
EP-2307397-B1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2014-08-20 EP disclosed
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8716498-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA, INC. (US) 2014-05-06 US disclosed
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
US-8569522-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-10-29 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
EP-2307397-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2011-04-13 EP disclosed
WO-2009158426-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2009-12-30 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 (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-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES HRH1, HRH2, HRH4 TAAR1 1136/4885CHAT 3774/4885GRIK1 2336/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 TAAR1 337/4885CHAT 3868/4885GRIK1 1665/4885
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD74 TAAR1 426/4885CHAT 4180/4885GRIK1 1980/4885
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES UGT1A6, UGT2B7, UGT1A7 TAAR1 3058/4885CHAT 308/4885GRIK1 1935/4885

“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.