SCHEMBL6101865

SCHEMBL6101865

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc(Cl)c(O)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA7 P36544 4/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
HPGD P15428 1/20 0.35
CHRND Q07001 1/20 0.35
CHRNA2 Q15822 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6098954 0.91 CHRNB2 (0.36) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL6099080 0.87 CHRNB2 (0.35) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL6100566 0.85 CHRNB2 (0.35) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL6098286 0.84 SCN9A (0.35) CHRNB2CHRNA4SLC6A3SLC6A4
SCHEMBL6098192 0.84 HTR4 (0.43) CHRNB2CHRNA4SLC6A3SLC6A4CHRNB4
SCHEMBL6099134 0.82 RAF1 (0.37) CHRNB2CHRNA4SLC6A3SLC6A4
SCHEMBL6101273 0.81 SLC6A4 (0.42) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL6099436 0.80 IRAK4 (0.38) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL5226820 0.80 CHRNA7 (0.37) CHRNB2CHRNA4SLC6A3SLC6A4CHRNA7
SCHEMBL5917884 0.80 F10 (0.42) SLC6A3SLC6A4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CHRNB2 2627/4885CHRNA4 2863/4885SLC6A3 1166/4885

“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.