SCHEMBL16748858

SCHEMBL16748858

CN(CC(=O)O)C(=O)[C@H](Cc1ccccc1)OC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
FPR2 P25090 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
NPY5R Q15761 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
FPR3 P25089 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
SCHEMBL19563375 1.00 MEN1 (0.50) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19563286 0.88 MEN1 (0.45) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL16748864 0.88 MEN1 (0.45) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19547843 0.88 MEN1 (0.48) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL16742470 0.84 FPR2 (0.45) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19547828 0.83 MEN1 (0.49) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19547830 0.83 MEN1 (0.49) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19563266 0.82 FPR2 (0.58) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL16742493 0.82 FPR2 (0.58) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL16742509 0.81 MEN1 (0.60) MEN1KMT2ANPC1RAB9AFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071548-B1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-11-08 EP claimed
US-9926264-B2 Phenylcarbamate derivatives as formyl peptide receptor modulators ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-9926264-B2 Phenylcarbamate derivatives as formyl peptide receptor modulators ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-9926264-B2 Phenylcarbamate derivatives as formyl peptide receptor modulators ALLERGAN, INC. (US) 2018-03-27 US disclosed
EP-3071548-B1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-11-08 EP disclosed
US-20160272581-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-09-22 US disclosed
US-20160272581-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-09-22 US disclosed
US-20160272581-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-09-22 US disclosed
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof Annji Pharmaceutical Co., Ltd. (TW) 2015-07-09 US disclosed
WO-2015077451-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-05-28 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 (2 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-20160272581-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS FPR2, FPR1, FPR3 MEN1 4109/4885KMT2A 4480/4885NPC1 1890/4885
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof AR, BRCA1, CYP17A1 MEN1 2785/4885KMT2A 2312/4885NPC1 3814/4885

“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.