SCHEMBL6231722

SCHEMBL6231722

c1ccc(CNCCCNCc2ccccn2)nc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.85
SCN8A Q9UQD0 1/20 0.64
SIRT2 Q8IXJ6 1/20 0.57
ALOX15 P16050 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL9184672 0.98 CHRM2 (0.89) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL9777421 0.96 CHRM2 (0.93) CHRM2SCN8ASIRT2ALOX15KDM4E
Hydrochloric Acid SCHEMBL10698987 0.96 CHRM2 (0.86) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL9188072 0.96 CHRM2 (0.86) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL9777408 0.96 CHRM2 (0.86) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL16741961 0.96 CHRM2 (0.92) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL9777405 0.94 CHRM2 (0.83) CHRM2SCN8ASIRT2ALOX15KDM4E
Hydrochloric Acid SCHEMBL10617762 0.94 CHRM2 (0.83) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL348655 0.91 CHRM2 (0.78) CHRM2SCN8ASIRT2ALOX15KDM4E
SCHEMBL6205124 0.91 CHRM2 (0.72) CHRM2SCN8ASIRT2ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 US claimed
WO-2023183559-A1 ENGINEERED IONOPHORES FOR TRANSPORT OF METAL IONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2023-09-28 WO disclosed
US-20160225472-A1 POLYMERIC CHELATORS FOR METAL ION EXTRACTION AND SEPARATION UNIV TEXAS (US) 2016-08-04 US disclosed
US-20160225471-A1 FUNCTIONAL CONDUCTING POLYMERS FOR REDOX MEDIATED SEPARATIONS OF F-ELEMENTS UNIV TEXAS (US) 2016-08-04 US disclosed
WO-2015076911-A2 FUNCTIONAL CONDUCTING POLYMERS FOR REDOX MEDIATED SEPARATIONS OF F-ELEMENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-28 WO disclosed
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MURPHY MICHAEL A (US) 2014-02-27 US disclosed
EP-1165738-B1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2005-07-27 EP disclosed
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 US disclosed
EP-1465611-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES Murphy, Michael A. (US) 2004-10-13 EP disclosed
US-6617299-B1 Contacting the textile with a ligand which forms a complex with a transition metal, whereby the complex catalyses bleaching of the textile by atmospheric oxygen without use of aldehydes, wherein at UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-09-09 US disclosed
WO-2003051348-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES MURPHY MICHAEL A (US) 2003-06-26 WO disclosed
US-20030013772-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2003-01-16 US disclosed
EP-1165738-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-01-02 EP disclosed
WO-2000060044-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-10-12 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 (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-20030013772-A1 Composition, synthesis and therapeutic applications of polyamines TXN2, PYCR1, SQOR CHRM2 195/4885SCN8A 3640/4885SIRT2 1143/4885
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines PRDX5, PINK1, ARG2 CHRM2 549/4885SCN8A 4788/4885SIRT2 1818/4885
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MCU, PC, PINK1 CHRM2 705/4885SCN8A 4794/4885SIRT2 1888/4885

“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.