SCHEMBL16618457

SCHEMBL16618457

CCCCCCCCCCCCCCCCCCNC(=O)C1(N)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.59
EPHX1 P07099 8/20 0.53
CASP2 P42575 1/20 0.48
NAAA Q02083 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4678180 0.91 SPHK1 (0.54) SPHK1EPHX1CASP2NAAA
SCHEMBL13649889 0.84 POLB (0.42) SPHK1EPHX1
SCHEMBL26017783 0.79 SPHK1 (0.57) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL5813323 0.77 POLB (0.44) SPHK1EPHX1
SCHEMBL3427647 0.77 SPHK1 (0.54) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL21941459 0.77 SPHK1 (0.54) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL3682206 0.76 SPHK1 (0.54) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL8333228 0.76 SPHK1 (0.54) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL1237682 0.76 HPGD (0.56) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL1236881 0.76 HPGD (0.56) SPHK1EPHX1CASP2NAAAHPGD

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
US-11834393-B2 Organic compounds having taste-modifying properties GIVAUDAN SA (CH) 2023-12-05 US claimed
US-20210147345-A1 Organic Compounds having Taste-Modifying Properties GIVAUDAN SA (CH) 2021-05-20 US claimed
CN-105592720-B Organic compounds with taste-improving properties 奇华顿股份有限公司 2020-07-07 CN claimed
EP-3057444-B1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2017-12-06 EP claimed
EP-3057444-A1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES Givaudan SA (CH) 2016-08-24 EP claimed
US-20160227825-A1 Organic Compounds having Taste-Modifying Properties GIVAUDAN SA (CH) 2016-08-11 US claimed
CN-105592720-A Organic compounds having taste-modifying properties GIVAUDAN SA 2016-05-18 CN claimed
WO-2015048991-A1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2015-04-09 WO claimed
US-11834393-B2 Organic compounds having taste-modifying properties GIVAUDAN SA (CH) 2023-12-05 US disclosed
US-20210147345-A1 Organic Compounds having Taste-Modifying Properties GIVAUDAN SA (CH) 2021-05-20 US disclosed
CN-105592720-B Organic compounds with taste-improving properties 奇华顿股份有限公司 2020-07-07 CN disclosed
EP-3057444-B1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2017-12-06 EP disclosed
EP-3057444-A1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES Givaudan SA (CH) 2016-08-24 EP disclosed
US-20160227825-A1 Organic Compounds having Taste-Modifying Properties GIVAUDAN SA (CH) 2016-08-11 US disclosed
CN-105592720-A Organic compounds having taste-modifying properties GIVAUDAN SA 2016-05-18 CN disclosed
WO-2015048991-A1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2015-04-09 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 (3 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-20160227825-A1 Organic Compounds having Taste-Modifying Properties TAS2R5, TAS2R3, TAS2R1 SPHK1 3730/4885EPHX1 4126/4885CASP2 1709/4885
US-11834393-B2 Organic compounds having taste-modifying properties TAS2R5, TAS2R3, TAS2R1 SPHK1 3730/4885EPHX1 4126/4885CASP2 1709/4885
US-20210147345-A1 Organic Compounds having Taste-Modifying Properties TAS2R5, TAS2R3, TAS2R1 SPHK1 3730/4885EPHX1 4126/4885CASP2 1709/4885

“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.