SCHEMBL793675

SCHEMBL793675

COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NC(C(=O)NC(C)(C)CO)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.56
AVPR1A P37288 10/20 0.56
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
LMNA P02545 2/20 0.32
RECQL P46063 2/20 0.32

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
SCHEMBL807717 0.92 AVPR2 (0.56) AVPR2AVPR1AIL1BP2RX7CNR1
SCHEMBL10129711 0.92 AVPR2 (0.56) AVPR2AVPR1AIL1BP2RX7CNR1
Bicarbonate SCHEMBL17923256 0.87 AVPR2 (0.53) AVPR2AVPR1AIL1BP2RX7TDP1
SCHEMBL8233647 0.86 AVPR2 (0.60) AVPR2AVPR1AIL1BP2RX7GPR139
SCHEMBL807408 0.86 AVPR2 (0.53) AVPR2AVPR1AIL1BP2RX7CNR1
SCHEMBL10129815 0.84 AVPR2 (0.51) AVPR2AVPR1AIL1BP2RX7CNR1
SCHEMBL8232910 0.83 AVPR2 (0.58) AVPR2AVPR1ACNR1CNR2POLB
SCHEMBL8227237 0.80 AVPR2 (0.61) AVPR2AVPR1APOLBTDP1
SCHEMBL12057156 0.79 AVPR2 (0.53) AVPR2AVPR1AIL1BP2RX7
SCHEMBL8232911 0.77 AVPR2 (0.75) AVPR2AVPR1APOLBTDP1GPR139

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 9 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
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
EP-2616448-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 WO 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 AVPR2 905/4885AVPR1A 751/4885IL1B 3506/4885

“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.