SCHEMBL6654432

SCHEMBL6654432

Cc1nc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.63
RAB9A P51151 11/20 0.52
NPC1 O15118 9/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 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
SCHEMBL6636628 0.92 CHRNA7 (0.63) CHRNA7RAB9ANPC1MEN1KMT2A
SCHEMBL6631745 0.88 CHRNA7 (0.48) CHRNA7RAB9ANPC1MEN1KMT2A
SCHEMBL6631605 0.87 CHRNA7 (0.48) CHRNA7RAB9ANPC1MEN1KMT2A
SCHEMBL5917847 0.82 CHRNA7 (0.62) CHRNA7RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL6656591 0.81 CHRNA7 (0.61) CHRNA7RAB9ANPC1MEN1KMT2A
SCHEMBL6630985 0.80 CHRNA7 (0.67) CHRNA7RAB9ANPC1TSHR
SCHEMBL6843851 0.80 CHRNA7 (0.47) CHRNA7
SCHEMBL6632022 0.80 HTR3A (0.43) CHRNA7NPC1
SCHEMBL6660563 0.79 CHRNA7 (0.48) CHRNA7RAB9ANPC1MEN1KMT2A
SCHEMBL6759375 0.79 CHRNA7 (0.62) CHRNA7

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 CHRNA7 672/4885RAB9A 489/4885NPC1 50/4885
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 CHRNA7 672/4885RAB9A 489/4885NPC1 50/4885

“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.