SCHEMBL4401384

SCHEMBL4401384

Cc1cccc[n+]1CCCCCc1cccc(CCCCC[n+]2ccccc2C)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CHRNA7 P36544 6/20 0.53
CHRNA10 Q9GZZ6 6/20 0.53
CHRNA9 Q9UGM1 6/20 0.53
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39

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
SCHEMBL12638094 0.93 NPC1 (0.73) NPC1POLBRAB9ASMN1; SMN2CHRNA7
SCHEMBL4404565 0.93 NPC1 (0.62) NPC1POLBRAB9ASMN1; SMN2CHRNA7
SCHEMBL13334044 0.90 NPC1 (0.73) NPC1POLBRAB9ASMN1; SMN2CHRNA7
Bromide SCHEMBL3311193 0.89 NPC1 (0.77) NPC1POLBRAB9ASMN1; SMN2CHRNA7
SCHEMBL13267735 0.86 NPC1 (0.67) NPC1POLBRAB9ASMN1; SMN2CHRNA7
SCHEMBL4398783 0.86 NPC1 (0.72) NPC1POLBRAB9ASMN1; SMN2CHRNA7
SCHEMBL3592351 0.84 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3600997 0.84 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3603641 0.84 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3606677 0.84 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 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-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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 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-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

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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 NPC1 3736/4885POLB 2602/4885RAB9A 1249/4885
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE NPC1 1971/4885POLB 2513/4885RAB9A 1771/4885
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 NPC1 3736/4885POLB 2602/4885RAB9A 1249/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 NPC1 1844/4885POLB 3604/4885RAB9A 920/4885
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE NPC1 1971/4885POLB 2513/4885RAB9A 1771/4885

“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.