SCHEMBL6099580

SCHEMBL6099580

COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.42
HTR4 Q13639 1/20 0.42
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.40
KDM1A O60341 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
SLC6A2 P23975 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRND Q07001 1/20 0.37

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
SCHEMBL6098615 0.84 CHRNB2 (0.36) SLC6A3SLC6A4CHRNB2CHRNA4SLC6A2
SCHEMBL6100588 0.83 SLC6A3 (0.37) SLC6A3SLC6A4KDM1ACHRNB2CHRNA4
SCHEMBL6099874 0.82 XPO1 (0.37) SLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6098006 0.81 HTR4 (0.41) HTR4SLC6A3SLC6A4KDM1ACHRNB2
SCHEMBL6096724 0.80 CTSA (0.44) CTSATAS1R3TAS1R1
SCHEMBL6100408 0.80 CTSA (0.40) CTSAHTR4TAS1R3TAS1R1
SCHEMBL6099707 0.79 SLC6A3 (0.38) SLC6A3SLC6A4KDM1ACHRNB2CHRNA4
SCHEMBL6098192 0.79 HTR4 (0.43) HTR4SLC6A3SLC6A4KDM1ATAS1R3
SCHEMBL6099971 0.78 SLC6A3 (0.38) SLC6A3SLC6A4KDM1ACHRNB2CHRNA4
SCHEMBL6101273 0.76 SLC6A4 (0.42) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1

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 CTSA 4561/4885HTR4 3671/4885SLC6A3 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.