SCHEMBL1495784

SCHEMBL1495784

COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
P2RX3 P56373 3/20 0.43
P2RX2 Q9UBL9 3/20 0.43
CNR2 P34972 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42

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
SCHEMBL3066007 0.94 KDM4E (0.48) TDP1ATMCCR1CCR5CCR8
SCHEMBL7947936 0.94 CNR2 (0.48) TDP1ATMCCR1CCR5CCR8
SCHEMBL3058393 0.92 BAZ2B (0.48) TDP1ATMP2RX3P2RX2NR1I2
SCHEMBL3069110 0.92 TDP1 (0.41) TDP1ATMCCR1CCR5CCR8
SCHEMBL1495521 0.91 CA12 (0.51) TDP1ATMCCR1CCR5CCR8
SCHEMBL3067384 0.91 NR1I2 (0.41) TDP1ATMCCR1CCR5CCR8
SCHEMBL14781025 0.90 TDP1 (0.42) TDP1ATMCCR1CCR5CCR8
SCHEMBL1495743 0.90 RXFP1 (0.45) TDP1ATMCYP3A4CYP2A6P2RX3
SCHEMBL310982 0.90 ATAD2 (0.51) TDP1ATMCCR1CCR5CCR8
SCHEMBL311095 0.90 NOTUM (0.43) TDP1ATMCCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
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
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 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
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 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
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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 (3 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 TDP1 1775/4885ATM 1192/4885CCR1 319/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TDP1 1765/4885ATM 4263/4885CCR1 658/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B TDP1 1775/4885ATM 1192/4885CCR1 319/4885

“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.