SCHEMBL15568237

SCHEMBL15568237

CC(C)CC(=O)N1CCC[C@H](COc2cccc([N+](=O)[O-])c2C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IRAK4 Q9NWZ3 5/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HCRTR1 O43613 1/20 0.39
RBP4 P02753 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15568239 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ELMNATDP1IRAK4
SCHEMBL15566760 0.88 HCRTR1 (0.43) ALDH1A1KDM4EIRAK4MAPTHCRTR1
SCHEMBL15566763 0.88 HCRTR1 (0.43) ALDH1A1KDM4EIRAK4MAPTHCRTR1
SCHEMBL15567002 0.85 IRAK4 (0.45) ALDH1A1IRAK4L3MBTL1HCRTR1RBP4
SCHEMBL15568256 0.85 IRAK4 (0.45) ALDH1A1IRAK4L3MBTL1HCRTR1RBP4
SCHEMBL15607431 0.85 IRAK4 (0.45) ALDH1A1IRAK4L3MBTL1HCRTR1RBP4
SCHEMBL621516 0.84 RBP4 (0.46) ALDH1A1KDM4EIRAK4MAPTRBP4
SCHEMBL619157 0.84 SCN9A (0.47) ALDH1A1MAPTRBP4KMT2A
SCHEMBL15607314 0.84 SCN9A (0.47) ALDH1A1MAPTRBP4KMT2A
SCHEMBL618457 0.83 RBP4 (0.44) ALDH1A1KDM4ELMNAIRAK4MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3593648-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2021-07-14 EP disclosed
EP-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 EP disclosed
CN-104603132-B Sweet taste modifier 弗门尼舍公司 2020-02-21 CN disclosed
US-9745293-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-08-29 US disclosed
US-9745293-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-08-29 US disclosed
US-20170183336-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-06-29 US disclosed
US-20170183336-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-06-29 US disclosed
US-9687015-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-06-27 US disclosed
US-9687015-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-06-27 US disclosed
US-20160331013-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2016-11-17 US disclosed
US-20150374020-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2015-12-31 US disclosed
US-9138013-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-09-22 US disclosed
US-9138013-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-09-22 US disclosed
EP-2880031-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2015-06-10 EP disclosed
US-20150031684-A1 SWEET FLAVOR MODIFIER SENOMYX, INC 2015-01-29 US disclosed
US-20150031684-A1 SWEET FLAVOR MODIFIER SENOMYX, INC 2015-01-29 US disclosed
US-8877922-B2 Sweet flavor modifier SENOMYX, INC. (US) 2014-11-04 US disclosed
US-8877922-B2 Sweet flavor modifier SENOMYX, INC. (US) 2014-11-04 US disclosed
WO-2014025706-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-02-13 WO disclosed
WO-2014025706-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-02-13 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 (4 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-20150374020-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 613/4885KDM4E 1800/4885LMNA 4346/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 613/4885KDM4E 1800/4885LMNA 4346/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 445/4885KDM4E 2012/4885LMNA 4292/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 445/4885KDM4E 2012/4885LMNA 4292/4885

“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.