SCHEMBL12085491

SCHEMBL12085491

NCCCNCCCCNCCCNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.63
▸ CHRNB4 P30926 2/20 0.63
▸ CHRNA3 P32297 2/20 0.63
▸ CHRNA4 P43681 2/20 0.63
▸ CHRNA1 P02708 2/20 0.60
▸ CHRNG P07510 2/20 0.60
▸ CHRNB1 P11230 2/20 0.60
▸ CHRND Q07001 2/20 0.60
▸ GRIA1 P42261 4/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ GRIN1 Q05586 2/20 0.54
▸ GRIN2A Q12879 2/20 0.54

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
SCHEMBL14359605 1.00 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18875928 0.93 MMP2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL24572013 0.90 MMP2 (0.61) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9113781 0.89 ALPI (0.59) MMP2
SCHEMBL11254327 0.89 ALPI (0.59) —
SCHEMBL18375234 0.89 ALPI (0.59) —
Hydrochloric Acid SCHEMBL2927527 0.87 ALPI (0.58) —
SCHEMBL16559587 0.87 ALPI (0.58) —
Spermine SCHEMBL5361159 0.85 ALPI (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL17337848 0.84 ALPI (0.54) MMP2

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
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 — — EP disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 — — US disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 — — US disclosed
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 — — US disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 — — WO disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 — — US disclosed
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2012-11-15 — — US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 — — US disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 — — US disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 — — 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 (5 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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS CHRNB2 1101/4885CHRNB4 1396/4885CHRNA3 1086/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CHRNB2 1701/4885CHRNB4 2193/4885CHRNA3 2795/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CHRNB2 1701/4885CHRNB4 2193/4885CHRNA3 2795/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CHRNB2 1701/4885CHRNB4 2193/4885CHRNA3 2795/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CHRNB2 1701/4885CHRNB4 2193/4885CHRNA3 2795/4885

“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.

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