SCHEMBL6008735

SCHEMBL6008735

C[C@H]1[C@H](NC(=O)c2cc3oc4ccccc4c3cn2)C2CCN1CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.45
CHRNB2 P17787 12/20 0.45
CHRNA4 P43681 12/20 0.45
HTR3A P46098 3/20 0.43
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6008503 0.92 GABRP (0.47) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL6007811 0.81 HTR3A (0.61) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL6007592 0.81 HTR3A (0.61) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL6006745 0.80 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6007287 0.79 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL5917944 0.78 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6007646 0.78 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL6007196 0.78 GABRP (0.47) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6009297 0.78 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL6006324 0.78 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3AKCNH2

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-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE 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 (1 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-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 CHRNA7 594/4885CHRNB2 1185/4885CHRNA4 1450/4885

“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.