SCHEMBL793618

SCHEMBL793618

COc1cc(CCN)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ATM Q13315 1/20 0.70
TAAR1 Q96RJ0 6/20 0.66
TSHR P16473 2/20 0.66
MAPK1 P28482 1/20 0.66
LMNA P02545 2/20 0.64
GLA P06280 2/20 0.64
PNMT P11086 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
MEN1 O00255 1/20 0.57
APEX1 P27695 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
CYP19A1 P11511 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30709076 1.00 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL714973 0.85 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL559310 0.85 CSNK2A1 (0.51) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29673212 0.85 CSNK2A1 (0.51) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL1467248 0.84 KDM4E (0.68) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL8299478 0.83 CSNK2A1 (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL12841591 0.83 HTR1A (0.48) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL210639 0.82 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29351641 0.82 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
Iodide SCHEMBL10518637 0.81 ATM (0.96) KDM4EATMTAAR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023202582-A1 GPCR REGULATOR AND USE THEREOF 北京昌平实验室 2023-10-26 WO disclosed
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
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 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-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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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
US-20050065171-A1 Substituted purine derivatives ARIAD PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005009348-A2 SUBSTITUTED PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2005-02-03 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-20050065171-A1 Substituted purine derivatives ADORA2A, PNP, HPRT1 KDM4E 2177/4885ATM 3088/4885TAAR1 617/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 KDM4E 1869/4885ATM 4670/4885TAAR1 337/4885
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD74 KDM4E 1993/4885ATM 4651/4885TAAR1 426/4885
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES UGT1A6, UGT2B7, UGT1A7 KDM4E 3355/4885ATM 4556/4885TAAR1 3058/4885

“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.