SCHEMBL6629398

SCHEMBL6629398

C[C@H]1[C@H](NC(=O)c2ccc3ocnc3c2)C2CCN1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CHRNA7 P36544 13/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL6654718 0.91 TAS1R3 (0.47) NAMPTCHRNA7WNT1GSK3BDYRK1A
SCHEMBL6658685 0.83 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6634176 0.82 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL6652734 0.80 CHRNA7 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6631572 0.80 CHRNA7 (0.48) CHRNA7HTR3ANPC1SMN1; SMN2
SCHEMBL6802970 0.80 CHRNA7 (0.62) NAMPTCHRNA7CTNNB1WNT3AHTR3A
SCHEMBL6630635 0.80 CHRNA7 (0.62) NAMPTCHRNA7CTNNB1WNT3AHTR3A
SCHEMBL5917958 0.80 CHRNA7 (0.62) NAMPTCHRNA7CTNNB1WNT3AHTR3A
SCHEMBL6630638 0.80 CHRNA7 (0.62) NAMPTCHRNA7CTNNB1WNT3AHTR3A
Hydrochloric Acid SCHEMBL6479813 0.79 CHRNA7 (0.61) NAMPTCHRNA7HTR3AHTR3EHTR3B

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-6828330-B2 Central nervous system disorders; schizophrenia; psychological disorders PHARMACIA & UPJOHN COMPANY 2004-12-07 US claimed
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP claimed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US claimed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-6828330-B2 Central nervous system disorders; schizophrenia; psychological disorders PHARMACIA & UPJOHN COMPANY 2004-12-07 US disclosed
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US disclosed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (2 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-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 NAMPT 989/4885CHRNA7 672/4885WNT1 374/4885
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 NAMPT 989/4885CHRNA7 672/4885WNT1 374/4885

“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.