SCHEMBL5949417

SCHEMBL5949417

O=C(Cc1ccccn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.70
▸ NPC1 O15118 2/20 0.66
▸ TLR7 Q9NYK1 2/20 0.54
▸ PTPN1 P18031 2/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ SORT1 Q99523 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ FFAR2 O15552 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ IDO1 P14902 1/20 0.45

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
SCHEMBL6598838 0.83 RAB9A (1.00) RAB9ANPC1PTPN1KMT2ALMNA
SCHEMBL2051943 0.82 RAB9A (0.75) RAB9ANPC1KMT2ALMNACYP1A2
SCHEMBL6011931 0.82 RAB9A (0.75) RAB9ANPC1KMT2ALMNACYP1A2
Bromide SCHEMBL30883373 0.81 RAB9A (0.97) RAB9ANPC1PTPN1KMT2ALMNA
SCHEMBL7820941 0.81 RAB9A (0.73) RAB9ANPC1LMNACYP1A2CYP2C19
Iodide SCHEMBL28448392 0.81 RAB9A (0.69) RAB9ANPC1KMT2ACYP1A2CYP2C19
SCHEMBL29017606 0.80 RAB9A (0.73) RAB9ANPC1KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11622188 0.80 RAB9A (0.73) RAB9ANPC1KMT2ALMNACYP1A2
SCHEMBL29986829 0.80 RAB9A (0.73) RAB9ANPC1KMT2ALMNACYP1A2
SCHEMBL30333799 0.80 RAB9A (0.73) RAB9ANPC1KMT2ALMNACYP1A2

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-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
EP-1050531-B1 Pyridine and piperidine derivatives for treating neurodegenerative diseases SERVIER LAB (FR) 2004-11-17 — — EP 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-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 (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-20030181484-A1 New substituted pyridine or piperidine compounds CNR1, HRH4, OPRD1 RAB9A 1163/4885NPC1 2461/4885TLR7 787/4885
US-20060211731-A1 New substituted pyridine or piperidine compounds HRH3, P2RY1, CHRM1 RAB9A 1017/4885NPC1 2862/4885TLR7 686/4885
US-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 RAB9A 990/4885NPC1 2766/4885TLR7 817/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 RAB9A 1212/4885NPC1 2642/4885TLR7 708/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 RAB9A 1088/4885NPC1 2469/4885TLR7 790/4885

“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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