SCHEMBL1495643

SCHEMBL1495643

CCN(CC)CC(O)c1cc(C(=O)O)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
P2RX3 P56373 7/20 0.37
P2RX2 Q9UBL9 7/20 0.37
TP53 P04637 1/20 0.37
NR1I2 O75469 2/20 0.36
CYP2C9 P11712 1/20 0.36
LDHA P00338 2/20 0.35
LDHB P07195 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAD52 P43351 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
SCHEMBL1495728 0.88 P2RX3 (0.38) SMN1; SMN2P2RX3P2RX2NR1I2CYP2C9
SCHEMBL27823399 0.81 KEAP1 (0.39) CYP1A2CYP2D6RAD52
SCHEMBL1495819 0.81 NR1I2 (0.52) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL2760834 0.80 P2RX7 (0.41) P2RX3P2RX2
SCHEMBL3058837 0.80 P2RX3 (0.45) P2RX3P2RX2NR1I2CYP2C9LDHA
SCHEMBL1495762 0.78 LDHA (0.50) NPC1RAB9ASMN1; SMN2P2RX3P2RX2
SCHEMBL3073172 0.77 NR1I2 (0.44) NPC1RAB9ASMN1; SMN2P2RX3P2RX2
SCHEMBL3073168 0.77 NR1I2 (0.44) NPC1RAB9ASMN1; SMN2P2RX3P2RX2
SCHEMBL3064078 0.77 NR1I2 (0.44) NPC1RAB9ASMN1; SMN2P2RX3P2RX2
SCHEMBL2760957 0.76 NPC1 (0.41) NPC1RAB9ASMN1; SMN2P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN disclosed
CN-104016907-A Amide compounds, compositions and uses thereof RENOVIS INC 2014-09-03 CN disclosed
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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 (2 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B NPC1 2900/4885RAB9A 1588/4885SMN1; SMN2 1667/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B NPC1 2900/4885RAB9A 1588/4885SMN1; SMN2 1667/4885

“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.