SCHEMBL4845829

SCHEMBL4845829

CCOCC1CNCCN1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NOS1 P29475 1/20 0.33
PARP1 P09874 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
SCHEMBL4845816 1.00 LTA4H (0.41) LTA4HCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9464275 0.82
SCHEMBL12093536 0.81 SMN1; SMN2 (0.43) LTA4HNOS1
SCHEMBL4840715 0.80 CXCR4 (0.34) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL4840731 0.80 CXCR4 (0.34) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL4781560 0.79 LTA4H (0.38) LTA4H
SCHEMBL4845985 0.78
SCHEMBL63739 0.78
SCHEMBL30115266 0.78
SCHEMBL3015025 0.78 ALDH1A1 (0.46) LTA4HNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478642-A A kind of method that catalysis prepares 2 methyl triethylene diamines 吴琦琪 2017-03-08 CN claimed
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
CN-209602426-U One kind isolating and purifying system SHAOXING XINGXIN NEW MAT CO LTD 2019-11-08 CN disclosed
CN-108997356-A A method of catalysis Ethylenimine synthesizes 2- methyl triethylene diamine with 2- methyl piperazine 西安近代化学研究所 2018-12-14 CN disclosed
CN-108929326-A A method of using 2- methyl piperazine as Material synthesis 2- methyl triethylene diamine 西安近代化学研究所 2018-12-04 CN disclosed
CN-108906116-A It is a kind of for synthesizing the catalyst and preparation method and application of 2- methyl triethylene diamine 西安近代化学研究所 2018-11-30 CN disclosed
CN-106478642-A A kind of method that catalysis prepares 2 methyl triethylene diamines 吴琦琪 2017-03-08 CN disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 LTA4H 4238/4885CYP2D6 279/4885SLC6A2 247/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK LTA4H 990/4885CYP2D6 260/4885SLC6A2 3568/4885

“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.