Iodide

Iodide

SCHEMBL5949407

CN(C)c1ccc(C(O)Cc2ccccn2)cc1.I

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.51
▸ MAOB P27338 3/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ PTPRA P18433 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MITF O75030 1/20 0.40

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
SCHEMBL6559702 0.98 MAOA (0.52) MAOAMAOBNPC1RAB9APTPRA
SCHEMBL9491676 0.81 KDM4E (0.63) MAOAMAOBPTPRAKDM4EGRIN2D
SCHEMBL22728750 0.81 KDM4E (0.63) MAOAMAOBPTPRAKDM4EGRIN2D
SCHEMBL27701885 0.80 MAOA (0.49) MAOAMAOBNPC1RAB9APTPRA
SCHEMBL5949509 0.78 IGF1R (0.50) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5949323 0.78 IGF1R (0.50) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5948990 0.78 IGF1R (0.50) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5949524 0.78 PTPRA (0.46) NPC1RAB9APTPRAKDM4EGRIN2D
SCHEMBL11084913 0.78 MEN1 (0.50) NPC1RAB9APTPRAKDM4EGRIN2D
SCHEMBL27701887 0.77 MAOA (0.49) MAOAMAOBNPC1RAB9APTPRA

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
US-20060211731-A1 New substituted pyridine or piperidine compounds LES LABORATORIES SERVIER (FR) 2006-09-21 — — US disclosed
US-20050004168-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2005-01-06 — — US disclosed
US-6734196-B2 ANALGESICS; COGNITION ACTIVATORS LES LABORATOIRES SERVIER (FR) 2004-05-11 — — US disclosed
US-6638946-B2 1-(4-bromophenyl)-2-(1-methyl-2-piperidinyl)-1-ethanone, for example; treating neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, Korsakoff's disease and frontal lobe and subcortical dementias LES LABORATOIRES SERVIER (FR) 2003-10-28 — — US disclosed
US-20030181484-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2003-09-25 — — US disclosed
US-20030139408-A1 Substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2003-07-24 — — US disclosed
US-6511992-B2 For treating pain or memory deficiencies related to Alzheimer's disease and other neurodegenerative disorders associated with aging LES LABORATORIES SERVIER (FR) 2003-01-28 — — US disclosed
US-20020040036-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-04-04 — — US disclosed
US-20020035123-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-03-21 — — US disclosed
US-6323220-B1 COGNITION ACTIVATORS AND TREATMENT OF NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 — — 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 (6 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-20030181484-A1 New substituted pyridine or piperidine compounds CNR1, HRH4, OPRD1 MAOA 2811/4885MAOB 1898/4885NPC1 2461/4885
US-20060211731-A1 New substituted pyridine or piperidine compounds HRH3, P2RY1, CHRM1 MAOA 2864/4885MAOB 1909/4885NPC1 2862/4885
US-20030139408-A1 Substituted pyridine or piperidine compounds P2RY1, HRH3, CNR1 MAOA 2854/4885MAOB 1954/4885NPC1 2338/4885
US-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 MAOA 2417/4885MAOB 1496/4885NPC1 2766/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 MAOA 2965/4885MAOB 2024/4885NPC1 2642/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 MAOA 2650/4885MAOB 1736/4885NPC1 2469/4885

“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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