SCHEMBL5948745

SCHEMBL5948745

CSc1ccc(C(=O)Cc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL28408612 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6011931 0.82 RAB9A (0.75) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL2051943 0.82 RAB9A (0.75) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL7820941 0.81 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL29986829 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2
Bromide SCHEMBL28156394 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL29017606 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11622188 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL30333799 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL28172864 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNACYP1A2

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-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-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
EP-1050531-A1 Pyridine and piperidine derivatives for treating neurodegenerative diseases ADIR ET COMPAGNIE (FR) 2000-11-08 EP 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 RAB9A 1163/4885NPC1 2461/4885SMN1; SMN2 181/4885
US-20060211731-A1 New substituted pyridine or piperidine compounds HRH3, P2RY1, CHRM1 RAB9A 1017/4885NPC1 2862/4885SMN1; SMN2 322/4885
US-20030139408-A1 Substituted pyridine or piperidine compounds P2RY1, HRH3, CNR1 RAB9A 931/4885NPC1 2338/4885SMN1; SMN2 144/4885
US-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 RAB9A 990/4885NPC1 2766/4885SMN1; SMN2 271/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 RAB9A 1212/4885NPC1 2642/4885SMN1; SMN2 184/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 RAB9A 1088/4885NPC1 2469/4885SMN1; SMN2 206/4885

“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.