SCHEMBL15567671

SCHEMBL15567671

CCCC(=O)N1CCCCC1COc1cccc(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
IRAK4 Q9NWZ3 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PREP P48147 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL15567670 1.00 NPC1 (0.44) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL618344 0.97 PREP (0.41) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL618345 0.97 PREP (0.41) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL619069 0.97 PREP (0.41) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL620744 0.89 PREP (0.40) NPC1RAB9AHPGDIRAK4ALDH1A1
SCHEMBL620745 0.89 PREP (0.40) NPC1RAB9AHPGDIRAK4ALDH1A1
SCHEMBL15607328 0.87 IRAK4 (0.44) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL16205072 0.87 IRAK4 (0.44) NPC1RAB9AHPGDIRAK4MEN1
SCHEMBL15566352 0.85 MAPT (0.42) HPGDIRAK4MEN1KMT2AALDH1A1
SCHEMBL15567619 0.85 NPC1 (0.42) NPC1RAB9AHPGDIRAK4MEN1

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 16 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-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
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-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

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 NPC1 2736/4885RAB9A 3210/4885HPGD 2426/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NPC1 2736/4885RAB9A 3210/4885HPGD 2426/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NPC1 2871/4885RAB9A 3168/4885HPGD 2313/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NPC1 2871/4885RAB9A 3168/4885HPGD 2313/4885

“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.