SCHEMBL807752

SCHEMBL807752

COC(=O)CCNC(=O)C(N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
F9 P00740 1/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TACR1 P25103 3/20 0.41
CES2 O00748 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TACR3 P29371 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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 SCHEMBL15226536 0.99 F9 (0.42) PNMTF9POLBSMN1; SMN2MEN1
SCHEMBL807753 0.86 PNMT (0.46) PNMTPOLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15226370 0.85 PNMT (0.45) PNMTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL10129767 0.84 PNMT (0.48) PNMTPOLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15226247 0.83 PNMT (0.47) PNMTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL807938 0.82 PNMT (0.44) PNMTPOLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15226710 0.81 IDO1 (0.44) PNMTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL794152 0.80 CTSS (0.51) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5729788 0.78 CES2 (0.49) PNMTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL8227131 0.78 MEN1 (0.50) PNMTPOLBSMN1; SMN2MEN1KMT2A

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 PNMT 20/4885F9 3883/4885POLB 2129/4885

“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.