SCHEMBL6101149

SCHEMBL6101149

COc1cccc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 2/20 0.39
KDM1A O60341 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRNA7 P36544 3/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL6099441 0.87 IRAK4 (0.36) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6099436 0.85 IRAK4 (0.38) SLC6A4SLC6A3CHRNA7
SCHEMBL6100239 0.83 HCRTR1 (0.37) HCRTR1HCRTR2CHRNA7HPGDS
SCHEMBL6099344 0.83 TAS1R3 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6099564 0.82 CHRNA7 (0.34) KDM1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6100564 0.82 KDM1A (0.37) KDM1ASLC6A2SLC6A4CHRNA7
SCHEMBL6098642 0.82 HCRTR1 (0.37) HCRTR1HCRTR2CHRNA7HPGDS
SCHEMBL5917815 0.82 CHRNA7 (0.48) CHRNA7
Hydrochloric Acid SCHEMBL5231652 0.81 CHRNA7 (0.47) CHRNA7
SCHEMBL6100119 0.81 KDM2B (0.43) SLC6A2SLC6A4SLC6A3CHRNA7

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 HCRTR1 1335/4885HCRTR2 1490/4885KDM1A 1368/4885

“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.