SCHEMBL3597183

SCHEMBL3597183

Cc1ccc[n+](CCCCCCCC[n+]2cccc(C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HTT P42858 2/20 0.55
BCHE P06276 4/20 0.48
ACHE P22303 3/20 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
SCHEMBL4891742 1.00 KDM4E (0.57) KDM4EHTTBCHEACHE
SCHEMBL3599334 1.00 KDM4E (0.57) KDM4EHTTBCHEACHE
SCHEMBL3595598 1.00 KDM4E (0.57) KDM4EHTTBCHEACHE
SCHEMBL3595417 1.00 KDM4E (0.57) KDM4EHTTBCHEACHE
SCHEMBL3600673 1.00 KDM4E (0.57) KDM4EHTTBCHEACHE
Bromide SCHEMBL25407564 0.98 KDM4E (0.55) KDM4EHTTBCHEACHE
Bromide SCHEMBL29415454 0.98 KDM4E (0.60) KDM4EHTTBCHEACHE
Bromide SCHEMBL3594855 0.98 KDM4E (0.60) KDM4EHTTBCHEACHE
Bromide SCHEMBL4886690 0.98 KDM4E (0.60) KDM4EHTTBCHEACHE
Bromide SCHEMBL3587002 0.98 KDM4E (0.60) KDM4EHTTBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-17 US claimed
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-11-20 US claimed
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2005-11-24 US claimed
US-8546415-B2 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-17 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-11-20 US disclosed
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2005-11-24 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 (4 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-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES SLC18A3, CHRNB2, CHRNB3 KDM4E 3882/4885HTT 713/4885BCHE 66/4885
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies SLC18A3, SLC18A2, CHRNB2 KDM4E 2649/4885HTT 922/4885BCHE 58/4885
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies SLC18A3, SLC18A2, CHRNB2 KDM4E 2649/4885HTT 922/4885BCHE 58/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 KDM4E 1712/4885HTT 603/4885BCHE 39/4885

“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.