SCHEMBL2042815

SCHEMBL2042815

c1ccc(CC2=NCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 6/20 0.43
▸ ADRA2B P18089 6/20 0.43
▸ ADRA2C P18825 6/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KCNN4 O15554 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ CALM1 P0DP23 1/20 0.42
▸ SORT1 Q99523 1/20 0.41
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 2/20 0.34

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
Hydrochloric Acid SCHEMBL28113238 0.98 TAAR1 (0.44) ADRA2AADRA2BADRA2CTAAR1CYP1A2
SCHEMBL11161143 0.89 ADRA2A (0.41) ADRA2AADRA2BADRA2CTAAR1CYP1A2
Tetrabuthylammonium SCHEMBL9560783 0.83 DNM1 (0.38) ADRA2AADRA2BADRA2CTAAR1CYP1A2
SCHEMBL24630875 0.82 MAOA (0.44) ADRA2AADRA2BADRA2CTAAR1CYP1A2
SCHEMBL4335321 0.81 HTR1D (0.46) TAAR1LMNARAB9AALDH1A1L3MBTL1
SCHEMBL29226442 0.81 IDO1 (0.34) TAAR1CYP2D6TSHRLMNARAB9A
SCHEMBL28759506 0.81 MAOA (0.35) ADRA2ALMNAADRA1ARAB9ASMN1; SMN2
SCHEMBL11787286 0.79 LTA4H (0.39) ADRA2AADRA2BADRA2C
SCHEMBL27653546 0.79 CYP2D6 (0.51) TAAR1CYP1A2CYP2D6
SCHEMBL27633076 0.79 TAAR1 (0.40) TAAR1LMNARAB9AL3MBTL1NPC1

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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150044346-A1 USE OF OXAZOLINES AS AROMA/FLAVOUR PRECURSORS NESTEC S.A. (CH) 2015-02-12 — — US claimed
EP-2831051-A1 USE OF OXAZOLINES AS AROMA/FLAVOUR PRECURSORS Nestec S.A. (CH) 2015-02-04 — — EP claimed
EP-2819611-A1 DENTAL PRODUCTS AND PROCEDURES Bay Materials, LLC (US) 2015-01-07 — — EP claimed
WO-2013143904-A1 USE OF OXAZOLINES AS AROMA/FLAVOUR PRECURSORS NESTEC S.A. (CH) 2013-10-03 — — WO claimed
EP-2644602-A1 Use of oxazolines as aroma/flavour precursors Nestec S.A. (CH) 2013-10-02 — — EP claimed
WO-2013130552-A1 DENTAL PRODUCTS AND PROCEDURES BAY MATERIALS LLC (US) 2013-09-06 — — WO claimed
CN-100389117-C Oxazolinyl ring metal catalyst with chiral center, synthesis and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2008-05-21 — — CN claimed
CN-1629170-A Oxazolinyl ring metal catalyst with chiral center, synthesis and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2005-06-22 — — CN claimed
CN-118813027-A Water-soluble supramolecular complexes 博任达生化科技(上海)有限公司 2024-10-22 — — CN disclosed
CN-118813026-A Water-soluble supramolecular complexes 博任达生化科技(上海)有限公司 2024-10-22 — — CN disclosed
US-20240299627-A1 Inverse thermogelling polyoxazoline copolymers JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2024-09-12 — — US disclosed
CN-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 — — CN disclosed
CN-107108905-B Water-soluble supramolecular complexes 博任达生化科技(上海)有限公司 2024-06-18 — — CN disclosed
CN-117545459-A Cleaning composition and method for producing same 日本乐敦制药株式会社 2024-02-09 — — CN disclosed
EP-0335980-A1 RUBBER COMPOSITE Takeda Chemical Industries, Ltd. (JP) 1989-10-11 — — EP disclosed
EP-0164219-B1 PROCESS FOR PREPARING SUBSTITUTED OXAZOLINES ROBINSON BROTHERS LIMITED (GB) 1989-08-16 — — EP disclosed
US-4673748-A DEHYDROCYCLIZATION OF HYDROXYAMIDES ROBINSON BROTHERS LIMITED (GB) 1987-06-16 — — US disclosed
US-4658011-A Polymerization of oxazoline using alkali or alkaline earth metal complex catalyst ASHLAND OIL, INC. (US) 1987-04-14 — — US disclosed
EP-0164219-A1 Process for preparing substituted oxazolines ROBINSON BROTHERS LIMITED (GB) 1985-12-11 — — EP disclosed
US-4540747-A POLYOXAZOLINES AND OXAZINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-10 — — 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-20150044346-A1 USE OF OXAZOLINES AS AROMA/FLAVOUR PRECURSORS OXER1, PDK4, OXA1L ADRA2A 884/4885ADRA2B 1041/4885ADRA2C 579/4885

“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.

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