SCHEMBL4744122

SCHEMBL4744122

CCC1CCCC(C)C1N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 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
SCHEMBL26151467 1.00 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL15679323 0.85
SCHEMBL2154499 0.85 CA1 (0.32) NOS3NOS1NOS2
SCHEMBL14258652 0.83
Hydrochloric Acid SCHEMBL8016547 0.82 CA1 (0.31) NOS3NOS1NOS2
SCHEMBL597925 0.79
SCHEMBL598873 0.79
SCHEMBL598874 0.79
SCHEMBL597926 0.79
SCHEMBL597924 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964259-B2 Catalyst composition for hydrogenating 4,4′-methylenedianiline derivatives and method for preparing 4,4′-methylene bis(cyclohexylamine) derivatives using the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2024-04-23 US claimed
US-20210197177-A1 CATALYST COMPOSITION FOR HYDROGENATING 4,4'-METHYLENEDIANILINE DERIVATIVES AND METHOD FOR PREPARING 4,4'-METHYLENE BIS(CYCLOHEXYLAMINE) DERIVATIVES USING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-07-01 US claimed
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN claimed
CN-108610466-B Polyurea elastomer with polysiloxane completely replacing polyether and preparation method thereof 山东大学 2021-04-06 CN claimed
CN-108219146-A A kind of organic-silicon-modified polyureas(Polyurethane)Elastomer and preparation method thereof 山东大学 2018-06-29 CN claimed
CN-101602839-B Integral skin polyurethane-urea composition, preparation method and application thereof SHANGHAI HEDA POLYMERIC TECHNOLOGY CO LTD 2011-04-13 CN claimed
CN-101602839-A A kind of integral skin polyurethane-urea composition, its preparation method and application SHANGHAI HEDA POLYMERIC TECHNO (CN) 2009-12-16 CN claimed
US-4252742-A USING A BED OF GROUP 8 METAL CATALYST, AMMONIA, AND HYDROGEN, AND HIGH PRESSURE AND TEMPERATURE CIBA-GEIGY CORPORATION (US) 1981-02-24 US claimed
US-11964259-B2 Catalyst composition for hydrogenating 4,4′-methylenedianiline derivatives and method for preparing 4,4′-methylene bis(cyclohexylamine) derivatives using the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2024-04-23 US disclosed
US-20210197177-A1 CATALYST COMPOSITION FOR HYDROGENATING 4,4'-METHYLENEDIANILINE DERIVATIVES AND METHOD FOR PREPARING 4,4'-METHYLENE BIS(CYCLOHEXYLAMINE) DERIVATIVES USING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-07-01 US disclosed
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN disclosed
CN-108610466-B Polyurea elastomer with polysiloxane completely replacing polyether and preparation method thereof 山东大学 2021-04-06 CN disclosed
CN-109517333-B Solvent-free resin composition and use thereof 台燿科技股份有限公司 2021-01-26 CN disclosed
CN-110591046-A Cross-linked ester-soluble polyurethane ink binder, and preparation method and application thereof 黄山中泽新材料有限公司 2019-12-20 CN disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
EP-0022751-B1 PROCESS FOR THE PRODUCTION OF 2,6-DIALKYLCYCLOHEXYLAMINES CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 EP disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 EP disclosed
US-4252742-A USING A BED OF GROUP 8 METAL CATALYST, AMMONIA, AND HYDROGEN, AND HIGH PRESSURE AND TEMPERATURE CIBA-GEIGY CORPORATION (US) 1981-02-24 US disclosed
EP-0022751-A1 Process for the production of 2,6-dialkylcyclohexylamines CIBA-GEIGY AG (CH) 1981-01-21 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-11964259-B2 Catalyst composition for hydrogenating 4,4′-methylenedianiline derivatives and method for preparing 4,4′-methylene bis(cyclohexylamine) derivatives using the same HNMT, MCM4, HRH3 NOS3 2222/4885NOS1 1723/4885NOS2 1245/4885
US-20210197177-A1 CATALYST COMPOSITION FOR HYDROGENATING 4,4'-METHYLENEDIANILINE DERIVATIVES AND METHOD FOR PREPARING 4,4'-METHYLENE BIS(CYCLOHEXYLAMINE) DERIVATIVES USING THE SAME HNMT, HRH3, MCM4 NOS3 2230/4885NOS1 1713/4885NOS2 1240/4885

“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.