SCHEMBL4440894

SCHEMBL4440894

O=C(O)NCC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.59
CES2 O00748 1/20 0.51
BCHE P06276 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TACR1 P25103 2/20 0.48
ACP3 P15309 1/20 0.48
BCAT2 O15382 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4437771 1.00 PNMT (0.59) PNMTCES2BCHENPC1RAB9A
SCHEMBL20764994 0.86 PNMT (0.56) PNMTCES2BCHETACR1ACP3
SCHEMBL382192 0.84 PNMT (0.50) PNMTCES2BCHETACR1ACP3
SCHEMBL4447858 0.84 PNMT (0.51) PNMTCES2NPC1RAB9AMEN1
SCHEMBL3447393 0.83 SLC6A9 (0.46) PNMTCES2BCHETACR1ACP3
SCHEMBL3447470 0.83 MEN1 (0.47) PNMTCES2BCHERAB9ATACR1
Hydrochloric Acid SCHEMBL381834 0.83 PNMT (0.49) PNMTCES2BCHETACR1ACP3
SCHEMBL27673058 0.81 NPC1 (0.50) CES2NPC1RAB9ATACR1ACP3
SCHEMBL257275 0.81 PNMT (0.51) PNMTCES2BCHEALDH1A1
Hydrochloric Acid SCHEMBL167658 0.81 PNMT (0.54) PNMTCES2BCHERAB9ATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT PNMT 3/4885CES2 449/4885BCHE 333/4885

“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.