SCHEMBL3798088

SCHEMBL3798088

C=CCN(CC=C)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.34
SLC6A4 P31645 16/20 0.34
SLC6A3 Q01959 7/20 0.33
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5137511 0.87 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL2363531 0.83 SIGMAR1 (0.35) SIGMAR1
SCHEMBL1574833 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL2163192 0.78 ALDH1A1 (0.38) SIGMAR1
SCHEMBL30750 0.76 ALDH1A1 (0.41) SIGMAR1
Ammonia Solution, Strong SCHEMBL17439397 0.74 ALDH1A1 (0.40) SIGMAR1
Fluoride SCHEMBL9620616 0.74 ALDH1A1 (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL2957420 0.74 ALDH1A1 (0.40) SIGMAR1
SCHEMBL7323478 0.73 LSS (0.32) SIGMAR1
SCHEMBL7269723 0.73 SIGMAR1 (0.31) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP claimed
US-8506683-B2 Absorbent liquid, and apparatus and method for removing CO2 or H2S from gas with use of absorbent liquid MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2013-08-13 US disclosed
US-8231719-B2 Absorbent liquid, and apparatus and method for removing CO2 or H2S from gas with use of absorbent liquid MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2012-07-31 US disclosed
US-20100282081-A1 ABSORBENT LIQUID, AND APPARATUS AND METHOD FOR REMOVING C02 OR H2S FROM GAS WITH USE OF ABSORBENT LIQUID YOSHIYAMA RYUJI 2010-11-11 US disclosed
US-20090277330-A1 Absorbent Liquid, and Apparatus and Method for Removing CO2 or H2S from Gas with Use of Absorbent Liquid MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2009-11-12 US disclosed
EP-2036602-A1 ABSORBENT LIQUID, AND APPARATUS AND METHOD FOR REMOVING CO2 OR H2S FROM GAS WITH USE OF ABSORBENT LIQUID Mitsubishi Heavy Industries, Ltd. (JP) 2009-03-18 EP disclosed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 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 (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-20100282081-A1 ABSORBENT LIQUID, AND APPARATUS AND METHOD FOR REMOVING C02 OR H2S FROM GAS WITH USE OF ABSORBENT LIQUID ALKBH2, ALKBH1, CNR2 SLC6A2 61/4885SLC6A4 78/4885SLC6A3 890/4885

“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.