SCHEMBL16204992

SCHEMBL16204992

N#Cc1c(N)cccc1OCC1CCCCN1C(=O)NCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
CSF1R P07333 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK2A1 P68400 1/20 0.42
NTRK2 Q16620 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
KCNH2 Q12809 1/20 0.40
FKBP1A P62942 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VNN1 O95497 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37

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
SCHEMBL15607415 1.00 HRH3 (0.44) HRH3CSF1RMAPK1AKT1MAPK8
SCHEMBL15607210 0.87 HRH3 (0.41) HRH3CSF1RMAPK1AKT1MAPK8
SCHEMBL16205115 0.87 HRH3 (0.41) HRH3CSF1RMAPK1AKT1MAPK8
SCHEMBL15607447 0.86 HRH3 (0.41) HRH3KCNH2FKBP1ACYP3A4MAPK14
SCHEMBL16205057 0.86 HRH3 (0.41) HRH3KCNH2FKBP1ACYP3A4MAPK14
SCHEMBL15566352 0.85 MAPT (0.42) HRH3MEN1KMT2AMAPT
SCHEMBL618258 0.82 HCRTR2 (0.40) HRH3MAPT
SCHEMBL620851 0.82 HCRTR2 (0.40) HRH3MAPT
SCHEMBL618257 0.82 HCRTR2 (0.40) HRH3MAPT
SCHEMBL618602 0.81 HRH3 (0.39) HRH3MEN1KMT2AMAPT

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 13 patents. 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
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-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-20160331013-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2016-11-17 US disclosed
US-9420814-B2 Sweet flavor modifier SENOMYX, INC. (US) 2016-08-23 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-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

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 HRH3 3079/4885CSF1R 2261/4885MAPK1 4306/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3079/4885CSF1R 2261/4885MAPK1 4306/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3166/4885CSF1R 2395/4885MAPK1 4326/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3166/4885CSF1R 2395/4885MAPK1 4326/4885

“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.