SCHEMBL6882876

SCHEMBL6882876

C[C@H]1[C@H](NC(=O)c2cccc(Oc3ccccc3)c2)C2CCN1CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
PKM P14618 1/20 0.58
HDAC8 Q9BY41 1/20 0.50
AKR1C3 P42330 1/20 0.48
CCR3 P51677 1/20 0.47
RAB9A P51151 1/20 0.45
DGAT1 O75907 1/20 0.45
CYP3A4 P08684 1/20 0.45
SOAT1 P35610 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
MCHR1 Q99705 1/20 0.44
USP30 Q70CQ3 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL7689195 0.91 NPC1 (0.48) NPC1PKMRAB9AKMT2AALDH1A1
SCHEMBL6883813 0.90 USP30 (0.51) NPC1PKMKMT2ASMN1; SMN2MCHR1
SCHEMBL373485 0.90 USP30 (0.51) NPC1PKMKMT2ASMN1; SMN2MCHR1
SCHEMBL6882886 0.89 NPC1 (0.47) NPC1PKMRAB9ADGAT1KMT2A
SCHEMBL6872610 0.88 PARP10 (0.52) NPC1PKMUSP30
SCHEMBL7687686 0.87 NPC1 (0.46) NPC1PKMDGAT1USP30
SCHEMBL6882177 0.86 PGR (0.51) NPC1PKMRAB9ACYP3A4KMT2A
SCHEMBL6878991 0.85 CHRNB2 (0.45) NPC1PKMCCR3KMT2AUSP30
SCHEMBL6882364 0.85 CHRNB2 (0.43) NPC1PKMHDAC8DGAT1USP30
SCHEMBL6882129 0.85 SLC6A5 (0.47) NPC1PKMUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492386-B2 TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US claimed
US-6479510-B2 N-((2S,3R)-2-METHYL-1-AZABICYCLO(2.2.2)OCT-3-YL)-4-(4-HYDROXYP HENOXY)- BENZAMIDE FOR EXAMPLE; TREATING DISEASES OF THE ALPHA-7-NICOTINIC ACETYLCHOLINE RECEPTOR I.E. SCHIZOPHRENIA, OR PSYCHOSIS PHARMACIA & UPJOHN COMPANY 2002-11-12 US claimed
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated PHARMACIA & UPJOHN COMPANY 2002-05-02 US claimed
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-25 US claimed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US claimed
EP-1381603-A2 QUINUCLIDINE-SUBSTITUEDARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2004-01-21 EP disclosed
US-6492386-B2 TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US disclosed
US-6479510-B2 N-((2S,3R)-2-METHYL-1-AZABICYCLO(2.2.2)OCT-3-YL)-4-(4-HYDROXYP HENOXY)- BENZAMIDE FOR EXAMPLE; TREATING DISEASES OF THE ALPHA-7-NICOTINIC ACETYLCHOLINE RECEPTOR I.E. SCHIZOPHRENIA, OR PSYCHOSIS PHARMACIA & UPJOHN COMPANY 2002-11-12 US disclosed
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated PHARMACIA & UPJOHN COMPANY 2002-05-02 US disclosed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US disclosed
WO-2002016356-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016358-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO 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 (3 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-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 NPC1 25/4885PKM 2731/4885HDAC8 3069/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 NPC1 25/4885PKM 2731/4885HDAC8 3069/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 NPC1 211/4885PKM 4407/4885HDAC8 2003/4885

“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.