SCHEMBL6630636

SCHEMBL6630636

Cc1noc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 2/20 0.46
KDM2B Q8NHM5 1/20 0.46
MAPK14 Q16539 4/20 0.45
MAPK13 O15264 1/20 0.42
CHRNA7 P36544 10/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6631215 0.92 MAPK14 (0.53) MLLT1MAPK14MAPK13CHRNA7CHRNB2
SCHEMBL6633464 0.83 CHRNA7 (0.41) MAPK13CHRNA7CHRNB2CHRNA4CNR1
SCHEMBL6756936 0.82 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4CNR1CNR2
SCHEMBL6631573 0.81 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4CNR1CNR2
SCHEMBL6636133 0.80 CHRNA7 (0.60) CHRNA7HTR3EHTR3BCHRNB4CHRNA3
SCHEMBL6843525 0.80 CHRNA7 (0.60) CHRNA7HTR3EHTR3BCHRNB4CHRNA3
SCHEMBL6654035 0.80 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4CNR1CNR2
SCHEMBL6758236 0.79 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4CNR1CNR2
SCHEMBL6632431 0.79 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6755113 0.79 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4CNR1CNR2

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 8 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
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 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 (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 MLLT1 1080/4885KDM2B 3153/4885MAPK14 4793/4885
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 MLLT1 1080/4885KDM2B 3153/4885MAPK14 4793/4885

“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.