SCHEMBL3268633

SCHEMBL3268633

[CH2]C(CCN)CNC(C=C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
HTR2A P28223 2/20 0.37
TAAR1 Q96RJ0 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 4/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP2C19 P33261 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2C9 P11712 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
GRM7 Q14831 1/20 0.32
ALOX15 P16050 1/20 0.31
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30

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 SCHEMBL9769539 0.77 CYP3A4 (0.42) HRH1HTR2ATAAR1SMN1; SMN2CYP3A4
SCHEMBL4841608 0.75 TAAR1 (0.40) HRH1HTR2ATAAR1SMN1; SMN2AOC3
SCHEMBL336304 0.74 HRH1 (0.34) HRH1
SCHEMBL4445401 0.74 MTOR (0.52) HRH1HTR2ATAAR1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11969894 0.74 HRH1 (0.33) HRH1
SCHEMBL10537184 0.73 MTOR (0.40) HRH1HTR2ACYP3A4TSHRMTOR
Hydrochloric Acid SCHEMBL7126952 0.72 ALOX15 (0.42) HRH1HTR2ACYP3A4TSHRMTOR
SCHEMBL3297741 0.71 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4TSHRCYP2C19MTOR
SCHEMBL10979420 0.71 SMN1; SMN2 (0.40) SMN1; SMN2AOC3CYP3A4TSHRCYP2C19
SCHEMBL98709 0.70 HRH1 (0.35) HRH1HTR2ASMN1; SMN2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210285108-A1 COPPER OR COPPER ALLOY ARTICLE COMPRISING SURFACE-MODIFIED POLYESTER-BASED RESIN AND MANUFACTURING METHOD ADVANCED TECHNOLOGIES, INC. (JP) 2021-09-16 US claimed
US-11053593-B2 Copper or copper alloy article comprising surface-modified polyester-based resin and manufacturing method ADVANCED TECHNOLOGIES, INC. (JP) 2021-07-06 US claimed
US-20190078213-A1 COPPER OR COPPER ALLOY ARTICLE COMPRISING SURFACE-MODIFIED POLYESTER-BASED RESIN AND MANUFACTURING METHOD ADVANCED TECHNOLOGIES, INC. (JP) 2019-03-14 US claimed
WO-2024150761-A1 WATER-BASED SILICA SOL CONTAINING MERCAPTO-GROUP-CONTAINING SILICA PARTICLES 日産化学株式会社 2024-07-18 WO disclosed
EP-4397623-A1 EPOXY GROUP-CONTAINING ORGANOSILICA SOL, EPOXY RESIN COMPOSITION AND PRODUCTION METHOD THEREOF Nissan Chemical Corporation (JP) 2024-07-10 EP disclosed
CN-118119567-A Hydrophobic organic solvent-dispersed silica sol and method for producing same 日产化学株式会社 2024-05-31 CN disclosed
CN-118076561-A Ester-dispersed silica sol and method for producing same 日产化学株式会社 2024-05-24 CN disclosed
CN-118055985-A Composition containing metal oxide particles with reduced production of volatile aldehydes 日产化学株式会社 2024-05-17 CN disclosed
WO-2024096130-A1 HOLLOW SILICA PARTICLES CONTAINING ALUMINUM ATOMS AND METHOD FOR PRODUCING SAME 日産化学株式会社 2024-05-10 WO disclosed
WO-2024080286-A1 NANOSHEETS, COATING LAYER FORMING COMPOSITION USING SAME, AND MOLDED ARTICLE 日産化学株式会社 2024-04-18 WO disclosed
CN-117881628-A Epoxy group-containing organosilicon sol, epoxy resin composition, and method for producing same 日产化学株式会社 2024-04-12 CN disclosed
CN-110997314-A Composite material of metal and resin 株式会社新技术研究所 2020-04-10 CN disclosed
CN-110603346-A Treatment liquid for forming coating film 奥野制药工业株式会社 2019-12-20 CN disclosed
US-20190184682-A1 Copper Alloy Article Containing Polyester-Based Resin and Method for Producing the Same ADVANCED TECHNOLOGIES, INC. (JP) 2019-06-20 US disclosed
US-20190078213-A1 COPPER OR COPPER ALLOY ARTICLE COMPRISING SURFACE-MODIFIED POLYESTER-BASED RESIN AND MANUFACTURING METHOD ADVANCED TECHNOLOGIES, INC. (JP) 2019-03-14 US disclosed
US-20190071781-A1 COATING FORMATION COMPOSITION AND METAL MATERIAL TREATMENT METHOD OKUNO CHEMICAL INDUSTRIES CO., LTD. (JP) 2019-03-07 US disclosed
US-20180362552-A1 BETAINE-BASED SILICON COMPOUND, METHOD FOR PRODUCING SAME, HYDROPHILIC COATING LIQUID COMPOSITION, AND COATING FILM KRI, INC. (JP) 2018-12-20 US disclosed
US-8524933-B2 Beta-ketoester group-containing organopolysiloxane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
EP-2199317-A1 Beta-ketoester group-containing organopolysiloxane compound Shin-Etsu Chemical Co., Ltd. (JP) 2010-06-23 EP disclosed
US-20100152473-A1 BETA-KETOESTER GROUP-CONTAINING ORGANOPOLYSILOXANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 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 (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-20100152473-A1 BETA-KETOESTER GROUP-CONTAINING ORGANOPOLYSILOXANE COMPOUND OR10J3, OR51E2, AOC3 HRH1 1616/4885HTR2A 2983/4885TAAR1 81/4885
US-20180362552-A1 BETAINE-BASED SILICON COMPOUND, METHOD FOR PRODUCING SAME, HYDROPHILIC COATING LIQUID COMPOSITION, AND COATING FILM SLC6A12, SMYD3, HRH3 HRH1 15/4885HTR2A 1326/4885TAAR1 1251/4885

“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.