SCHEMBL18293370

SCHEMBL18293370

CCCCCCCC(=O)N1CCC[C@H]1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CHRNA7 P36544 3/20 0.51
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA2 Q15822 2/20 0.51
LMNA P02545 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
PSIP1 O75475 1/20 0.51
TRPA1 O75762 1/20 0.51
HTR3B O95264 1/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
MAPT P10636 1/20 0.51
CHRNB1 P11230 1/20 0.51
CYP2A6 P11509 1/20 0.51
PTGS1 P23219 1/20 0.51
CHRNA5 P30532 1/20 0.51

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
SCHEMBL30548844 0.99 ALDH1A1 (0.52) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL18293369 0.99 ALDH1A1 (0.52) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL30548843 0.99 ALDH1A1 (0.52) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL8845094 0.97 KDM4E (0.55) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL31237841 0.86 KDM4E (0.49) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL3275498 0.86 KDM4E (0.49) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL28118098 0.86 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
SCHEMBL4385146 0.83 KDM4E (0.54) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
Palmitic Acid SCHEMBL20339205 0.82 BLM (0.65) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1
Myristic Acid SCHEMBL9508694 0.82 BLM (0.65) ALDH1A1CHRNA7CHRNB2CHRNA4TDP1

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-4448732-A1 PRODUCTION OF NORNICOTINE ACYL-DERIVATIVES IN A PLANT HOST Luxembourg Institute of Science and Technology (LU) 2024-10-23 EP claimed
WO-2023111120-A1 PRODUCTION OF NORNICOTINE ACYL-DERIVATIVES IN A PLANT HOST LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LU) 2023-06-22 WO claimed
EP-4448732-A1 PRODUCTION OF NORNICOTINE ACYL-DERIVATIVES IN A PLANT HOST Luxembourg Institute of Science and Technology (LU) 2024-10-23 EP disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
CN-113917044-B Method for quantitatively preparing 11 kinds of amide alkaloids in tobacco leaves by gas chromatography-tandem mass spectrometry 云南省烟草农业科学研究院 2023-10-20 CN disclosed
WO-2023111120-A1 PRODUCTION OF NORNICOTINE ACYL-DERIVATIVES IN A PLANT HOST LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LU) 2023-06-22 WO disclosed
US-20230152284-A1 METHOD OF QUANTITATIVELY ANALYZING 11 AMIDE ALKALOIDS IN TOBACCO LEAVES USING GAS CHROMATOGRAPHY-TANDEM MASS SPECTROMETRY YUNNAN ACADEMY OF TOBACCO AGRICULTURAL SCIENCES (CN) 2023-05-18 US disclosed
CN-115927297-A Primer, recombinant expression vector, transformant, kit, method and application for improving NacNNs content 云南省烟草农业科学研究院 2023-04-07 CN disclosed
EP-3972584-A1 NANOEMULSION COMPOSITIONS COMPRISING BIOLOGICALLY ACTIVE INGREDIENTS Poviva Corp. (US) 2022-03-30 EP disclosed
US-20160353795-A1 ACYL NORNICOTINES REDUCE SENSORY IRRITATION IN TOBACCO AND NICOTINE PRODUCTS ALTRIA CLIENT SERVICES LLC (US) 2016-12-08 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 (1 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-20160353795-A1 ACYL NORNICOTINES REDUCE SENSORY IRRITATION IN TOBACCO AND NICOTINE PRODUCTS NAPRT, AANAT, NAA50 ALDH1A1 1181/4885CHRNA7 89/4885CHRNB2 47/4885

“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.