SCHEMBL807715

SCHEMBL807715

CC(C)(NC(=O)C(N)c1ccccc1Cl)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
BLM P54132 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
AOC3 Q16853 1/20 0.35

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
Hydrochloric Acid SCHEMBL793975 0.99 BLM (0.41) CXCL8CNR1CNR2ADRB2ADRB1
SCHEMBL807932 0.89 CYP1A2 (0.45) CXCL8CNR1CYP2D6NFKB1MEN1
Hydrochloric Acid SCHEMBL793458 0.87 ALDH1A1 (0.46) CXCL8CNR1CYP2D6NFKB1BLM
SCHEMBL5575521 0.86 CXCL8 (0.53) CXCL8CNR1CNR2ADRB2ADRB1
SCHEMBL807758 0.81 CNR2 (0.41) CNR2MEN1KMT2AMAPK1CYP1A2
SCHEMBL15226294 0.81 CXCL8 (0.38) CXCL8CNR1CNR2ADRB2ADRB1
Hydrochloric Acid SCHEMBL15226476 0.80 CNR2 (0.40) CNR2MEN1KMT2AMAPK1L3MBTL1
SCHEMBL16715306 0.79 CXCL8 (0.37) CXCL8CNR1CNR2ADRB2ADRB1
SCHEMBL18901277 0.78 ROCK2 (0.46) CXCL8ADRB2ADRB1CYP2D6NFKB1
SCHEMBL10129489 0.77 CTSS (0.43) CXCL8ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 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 (1 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-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF AADAC, NAT1, DNPEP CXCL8 3158/4885CNR1 3093/4885CNR2 1907/4885

“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.