SCHEMBL277889

SCHEMBL277889

CCCC(C)C(CC)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
METAP1 P53582 1/20 0.42
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL30403487 0.85 CA1 (0.48) CA1CA2EPHX1GRIK1SLC1A2
SCHEMBL29789545 0.84 CA1 (0.47) CA1CA2EPHX1
SCHEMBL30424295 0.84 CA1 (0.47) CA1CA2EPHX1
SCHEMBL30423226 0.84 CA1 (0.47) CA1CA2EPHX1
SCHEMBL30424021 0.84 CA1 (0.47) CA1CA2EPHX1
Valnoctamide SCHEMBL387435 0.83 CA1 (0.39) CA1CA2TSHRALDH1A1EPHX1
Valnoctamide SCHEMBL5053817 0.83 CA1 (0.39) CA1CA2TSHRALDH1A1EPHX1
(2R,3S)-Sec-Butylpropylacetamide SCHEMBL24621638 0.82 CA1 (0.43) CA1CA2METAP1CHRM1AKR1A1
(2R,3S)-Sec-Butylpropylacetamide SCHEMBL1577854 0.82 CA1 (0.43) CA1CA2METAP1CHRM1AKR1A1
(2R,3S)-Sec-Butylpropylacetamide SCHEMBL25669842 0.82 CA1 (0.43) CA1CA2METAP1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019036665-A1 COMPOSITIONS COMPRISING AROMATIC ESTER SOLVENTS FOR USE IN OIL AND/OR GAS WELLS AND RELATED METHODS FLOTEK CHEMISTRY, LLC (US) 2019-02-21 WO disclosed
WO-2019036658-A1 COMPOSITIONS COMPRISING NON-HALOGENATED SOLVENTS FOR USE IN OIL AND/OR GAS WELLS AND RELATED METHODS FLOTEK- CHEMISTRY, LLC (US) 2019-02-21 WO disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
EP-2970753-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS Cesi Chemical Inc. (US) 2016-01-20 EP disclosed
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
WO-2014153102-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS CESI CHEMICAL INC. (US) 2014-09-25 WO disclosed
EP-1947101-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2008-07-23 EP disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 CA1 2516/4885CA2 2631/4885METAP1 2794/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 CA1 2676/4885CA2 2832/4885METAP1 2899/4885

“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.