SCHEMBL6098192

SCHEMBL6098192

COc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.43
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRND Q07001 1/20 0.39
KDM1A O60341 1/20 0.37
STAT3 P40763 2/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL6101865 0.84 CHRNB2 (0.36) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1
SCHEMBL6099080 0.83 CHRNB2 (0.35) SLC6A3SLC6A4TAS1R3TAS1R1CHRNB2
SCHEMBL6098954 0.82 CHRNB2 (0.36) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1
SCHEMBL6100566 0.81 CHRNB2 (0.35) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1
SCHEMBL6101149 0.81 HCRTR1 (0.39) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL6098006 0.80 HTR4 (0.41) HTR4SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6098286 0.80 SCN9A (0.35) SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6101288 0.80 TAS1R3 (0.36) HTR4TAS1R3TAS1R1CHRNB2CHRNA4
SCHEMBL6098747 0.80 TAS1R3 (0.36) HTR4TAS1R3TAS1R1STAT3CNR2
SCHEMBL6099580 0.79 CTSA (0.42) HTR4SLC6A3SLC6A4TAS1R3TAS1R1

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 HTR4 3671/4885SLC6A3 1166/4885SLC6A4 2113/4885

“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.