SCHEMBL6008439

SCHEMBL6008439

C[C@H]1[C@H](NC(=O)c2cc3oc(C(=O)N4CCCCC4)cc3cn2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 12/20 0.41
CHRNA7 P36544 12/20 0.41
CHRNA4 P43681 12/20 0.41
HTR3A P46098 1/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 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
SCHEMBL6007233 0.99 CHRNB2 (0.41) ALDH1A1HPGDL3MBTL1CHRNB2CHRNA7
SCHEMBL6008721 0.97 CHRNA7 (0.41) ALDH1A1HPGDL3MBTL1CHRNB2CHRNA7
SCHEMBL6009210 0.95 CHRNA7 (0.42) ALDH1A1HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL6007342 0.92 HRH4 (0.43) ALDH1A1HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL6008616 0.92 CHRNA7 (0.40) ALDH1A1HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL6006391 0.91 CHRNA7 (0.40) ALDH1A1HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL6007516 0.91 CHRNA7 (0.40) ALDH1A1HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL6009276 0.88 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6009260 0.88 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6006543 0.86 CHRNA7 (0.42) CHRNB2CHRNA7CHRNA4HTR3AKCNH2

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 ALDH1A1 561/4885HPGD 613/4885L3MBTL1 2062/4885

“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.