SCHEMBL4559690

SCHEMBL4559690

NCCCN1CCN(CCN)CC1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.77
KEAP1 Q14145 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SIGMAR1 Q99720 3/20 0.52
CYP2D6 P10635 1/20 0.52
ACE2 Q9BYF1 1/20 0.50
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7643516 1.00 ALOX15 (0.77) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL101501 0.94 KEAP1 (0.67) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL1616800 0.94
SCHEMBL4537474 0.92 ALOX15 (0.65) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801124 0.92 ALOX15 (0.72) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
Hydrochloric Acid SCHEMBL3673979 0.91 KEAP1 (0.64) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL15329386 0.91 KEAP1 (0.64) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9587121 0.88 KEAP1 (0.61) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL18071938 0.88 KEAP1 (0.61) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL3975418 0.87 ALOX15 (1.00) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289881-A FROM A 2-HYDROXYETHYL OR 2-AMINOETHYL PIPERAZINE USING A SILICON DIOXIDE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US claimed
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-21 US disclosed
US-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM OAK RIDGE NATIONAL LABORATORY 2022-07-21 US disclosed
WO-2020237079-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 WO disclosed
EP-2638020-B1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-07 EP disclosed
US-8993759-B2 Transamination of nitrogen-containing compounds to make cyclic and cyclic/acyclic polyamine mixtures DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-31 US disclosed
EP-2638020-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES Dow Global Technologies LLC (US) 2013-09-18 EP disclosed
US-20130231476-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2013-09-05 US disclosed
WO-2012064483-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-18 WO disclosed
EP-1174531-B1 MOISTURE-ABSORBING/RELEASING SYNTHETIC FIBER AND FABRIC USING THE SAME ASAHI CHEMICAL IND (JP) 2006-12-13 EP disclosed
US-4172094-A Polyamine compounds MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4100193-A MICROBIOCIDES, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-07-11 US disclosed
US-4091020-A CONDENSATION, CATALYTIC DECARBOXYLATION MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4065497-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1977-12-27 US disclosed
US-4061775-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4060639-A Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4058625-A Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4049417-A CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS MERCK & CO., INC. (US) 1977-09-20 US disclosed
US-4003934-A ANTIMICROBIAL AGENTS, ALGAE INHIBITORS MERCK & CO., INC. (US) 1977-01-18 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 (3 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-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM BCHE, ACHE, FHIT ALOX15 908/4885KEAP1 271/4885SMN1; SMN2 1520/4885
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them BCHE, ACHE, FHIT ALOX15 908/4885KEAP1 271/4885SMN1; SMN2 1520/4885
US-20130231476-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES SRM, NNMT, GNMT ALOX15 4190/4885KEAP1 2181/4885SMN1; SMN2 1020/4885

“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.