SCHEMBL2147491

SCHEMBL2147491

N#CCCCC(CCC#N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.62
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
FOLH1 Q04609 6/20 0.41
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
CPB2 Q96IY4 2/20 0.38
GRIK1 P39086 2/20 0.37

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
SCHEMBL12212883 0.93 SLC1A2 (0.69) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11657709 0.84 SLC1A2 (0.60) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28024111 0.83 CA2 (0.53) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6670789 0.83 CA2 (0.63) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29107170 0.83 CHRM1 (0.67) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29530823 0.83 SLC1A2 (0.58) SLC1A2FOLH1
SCHEMBL27930116 0.82 SLC1A2 (0.62) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6473075 0.81 SLC1A2 (0.56) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10012415 0.80 SLC1A2 (0.60) SLC1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18663874 0.80 SLC1A2 (0.60) SLC1A2CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220531545-U Ethyl 2, 3-dicyanopropionate recovery unit 湖北金玉兰医药科技有限公司 2024-02-27 CN claimed
CN-115677531-B Production process of ethyl 2, 3-dicyanopropionate 河北诚信集团有限公司 2024-04-09 CN disclosed
CN-115677531-B Production process of ethyl 2, 3-dicyanopropionate 河北诚信集团有限公司 2024-04-09 CN disclosed
CN-220531545-U Ethyl 2, 3-dicyanopropionate recovery unit 湖北金玉兰医药科技有限公司 2024-02-27 CN disclosed
CN-109575006-A A kind of diazole pyrazole amide analog derivative and its microwave attenuation materials method and application 中南民族大学 2019-04-05 CN disclosed
CN-109575006-A A kind of diazole pyrazole amide analog derivative and its microwave attenuation materials method and application 中南民族大学 2019-04-05 CN disclosed
CN-205313431-U Cyanoacetic acid ester and malonate's continuous cyaniding separator 河北诚信九天医药化工有限公司 2016-06-15 CN disclosed
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP disclosed
CN-103214395-B Synthesizing process of 2,3-dicyanoethylpropionate NANTONG HAISHENG PHARMACEUTICAL CO LTD 2014-04-30 CN disclosed
CN-103214395-B Synthesizing process of 2,3-dicyanoethylpropionate NANTONG HAISHENG PHARMACEUTICAL CO LTD 2014-04-30 CN disclosed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US disclosed
CN-103214395-A Synthesizing process of 2,3-dicyanoethylpropionate NANTONG HAISHENG PHARMACEUTICAL CO LTD 2013-07-24 CN disclosed
CN-103214395-A Synthesizing process of 2,3-dicyanoethylpropionate NANTONG HAISHENG PHARMACEUTICAL CO LTD 2013-07-24 CN disclosed
US-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL Gharda Medical and Advanced Technologies Foundation (IN) 2013-01-31 US disclosed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP disclosed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO disclosed
WO-2011086570-A1 PROCESS FOR PREPARATION OF CYANOALKYLPROPIONATE DERIVATIVES GHARDA KEKI HORMUSJI (IN) 2011-07-21 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 (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-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL FIP1L1, CYP2F1, PFAS SLC1A2 4068/4885CHRM1 4097/4885AKR1A1 923/4885

“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.