SCHEMBL807805

SCHEMBL807805

COCCNC(=O)C(N)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.51
TSHR P16473 1/20 0.51
GLA P06280 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK1 P28482 1/20 0.42
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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 SCHEMBL793710 0.99 HPGD (0.50) HPGDTSHRGLAOPRM1OPRL1
SCHEMBL10129764 0.80 CNR2 (0.43) HPGDGLAALDH1A1MAPK1KDM4E
SCHEMBL15226501 0.80 HPGD (0.48) HPGDTSHRGLAOPRM1OPRL1
SCHEMBL3729801 0.80 HPGD (0.61) HPGDALDH1A1MAPK1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL15226485 0.79 CNR2 (0.43) HPGDGLAALDH1A1MAPK1KDM4E
SCHEMBL5575264 0.76 HPGD (0.51) HPGDTSHRGLAALDH1A1ROCK2
SCHEMBL18901277 0.76 ROCK2 (0.46) OPRM1OPRL1ALDH1A1ROCK2ROCK1
SCHEMBL29975235 0.76 CASP1 (0.44) OPRM1ALDH1A1ROCK2ROCK1KMT2A
SCHEMBL29557046 0.76 CASP1 (0.44) OPRM1ALDH1A1ROCK2ROCK1KMT2A
SCHEMBL1159853 0.76 CASP1 (0.44) OPRM1ALDH1A1ROCK2ROCK1KMT2A

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 HPGD 474/4885TSHR 3770/4885GLA 508/4885

“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.