SCHEMBL7060813

SCHEMBL7060813

CC(=O)c1ccccc1-c1csc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1.C[C@H]1[C@H](NC(=O)c2cc(Cl)c(-c3ccccc3)s2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CHRNA7 P36544 7/20 0.34
HTR3A P46098 3/20 0.34
AVPR2 P30518 8/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
AVPR1A P37288 5/20 0.34
EIF4E P06730 1/20 0.33

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
SCHEMBL7064389 0.89 CHRNB2 (0.47) CHRNB2CHRNA4HTTSMN1; SMN2USP30
SCHEMBL7059405 0.86 CHRNA7 (0.42) CHRNB2CHRNA4HTTCHRNA7HTR3A
SCHEMBL7064097 0.80 CHRNB2 (0.61) CHRNB2CHRNA4HTTSMN1; SMN2USP30
SCHEMBL7063871 0.76 HPGD (0.54) CHRNB2CHRNA4HTTSMN1; SMN2CHRNA7
SCHEMBL7595540 0.76 CHRNB2 (0.50) CHRNB2CHRNA4HTTSMN1; SMN2USP30
SCHEMBL7063211 0.75 CHRNA7 (0.43) CHRNB2CHRNA4CHRNA7HTR3AHTR3E
SCHEMBL7125060 0.75 CHRNA7 (0.48) CHRNB2CHRNA4CHRNA7HTR3AHTR3E
SCHEMBL7064370 0.74 CHRNA7 (0.43) CHRNB2CHRNA4HTTCHRNA7HTR3A
SCHEMBL7062857 0.74 CHRNB2 (0.45) CHRNB2CHRNA4HTTSMN1; SMN2USP30
SCHEMBL7063809 0.73 CHRNA7 (0.41) CHRNB2CHRNA4HTTUSP30CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL 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 (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-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNB2 557/4885CHRNA4 549/4885HTT 358/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNB2 589/4885CHRNA4 602/4885HTT 153/4885

“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.