SCHEMBL8773489

SCHEMBL8773489

C=CCN(C(=O)O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F2 P00734 3/20 0.37
AGER Q15109 3/20 0.37
CCR5 P51681 1/20 0.37
MTNR1A P48039 1/20 0.37
PYGL P06737 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL23795173 0.96 CCR5 (0.36) ALDH1A1F2AGERCCR5PYGL
SCHEMBL784985 0.84 ADH1A (0.40) AGERMTNR1AL3MBTL1
SCHEMBL25804279 0.83 ALDH1A1 (0.38) ALDH1A1F2CCR5PYGLL3MBTL1
SCHEMBL16316830 0.83 ALDH1A1 (0.41) ALDH1A1F2CCR5PYGL
SCHEMBL4933705 0.83 F2 (0.41) ALDH1A1F2CCR5PYGL
SCHEMBL11556987 0.83 ALDH1A1 (0.38) ALDH1A1F2CCR5PYGL
SCHEMBL8259885 0.81 SLC6A2 (0.34) F2CCR5
SCHEMBL3763313 0.81 SLC6A1 (0.41)
SCHEMBL3763318 0.81 SLC6A1 (0.41)
SCHEMBL14534797 0.81 F2 (0.40) ALDH1A1F2CCR5PYGL

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907116-B2 Olfactive compositions comprising cyclohexyl-alkyl carbinols P2 SCIENCE, INC. (US) 2021-02-02 US disclosed
US-20180163158-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS P2 SCIENCE, INC. 2018-06-14 US disclosed
EP-3303534-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS P2 Science, Inc. (US) 2018-04-11 EP disclosed
WO-2016197000-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS P2 SCIENCE, INC. (US) 2016-12-08 WO disclosed
EP-0511948-B1 Preparation of urethane and carbonate products MONSANTO CO (US) 1997-11-05 EP disclosed
US-5371183-A Reacting diamine or polyamine with carbon dioxide in solvent in presence of sterically hindered amidine or guanidine to form salt, reacting with hydrocarbyl dihalide or polyhalide in polar aprotic solvent, polymerizing product MONSANTO COMPANY (US) 1994-12-06 US disclosed
US-5349048-A Reaction of carbon dioxide with alcohol to form salt in solvent and reacting with hydrocarbyl halide MONSANTO COMPANY (US) 1994-09-20 US disclosed
US-5344934-A Reaction of carbon dioxide and amine in aprotic solvents MONSANTO COMPANY (US) 1994-09-06 US disclosed
US-5260473-A Reaction of alcohol and carbon dioxide in aprotic solvent and strong amidine or guanidine base MONSANTO COMPANY (US) 1993-11-09 US disclosed
EP-0556538-A1 Blocked tricarbamate compounds MONSANTO COMPANY (US) 1993-08-25 EP disclosed
US-5223638-A Reacting primary or secondary amine with carbon dioxide in presence of strong amidine or guanidine base to form ammonium carbamate salt, reacting in polar aprotic solvent with primary or secondary hydrocarbyl halide MONSANTO COMPANY (US) 1993-06-29 US disclosed
EP-0511948-A2 Preparation of urethane and carbonate products MONSANTO COMPANY (US) 1992-11-04 EP 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 (2 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-20180163158-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS ACMSD, TAS2R1, MINK1 ALDH1A1 1201/4885F2 2110/4885AGER 1478/4885
US-10907116-B2 Olfactive compositions comprising cyclohexyl-alkyl carbinols ACMSD, TAS2R1, MINK1 ALDH1A1 1201/4885F2 2110/4885AGER 1478/4885

“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.