SCHEMBL6008616

SCHEMBL6008616

C[C@H]1[C@H](NC(=O)c2cc3oc(C(=O)N4CCOCC4)cc3cn2)C2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.40
CHRNB2 P17787 12/20 0.40
CHRNA4 P43681 12/20 0.40
HTR3A P46098 2/20 0.40
RAB9A P51151 2/20 0.40
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL6009210 0.94 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6008721 0.93 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6007233 0.93 CHRNB2 (0.41) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6008439 0.92 ALDH1A1 (0.41) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6007342 0.91 HRH4 (0.43) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6006391 0.90 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6007516 0.90 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3ARAB9A
SCHEMBL6009260 0.87 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL6009276 0.87 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3AKCNH2
SCHEMBL6005888 0.85 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3ARAB9A

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 4 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
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 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 (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.