SCHEMBL6800935

SCHEMBL6800935

CN1C2CCC1CC(NC1CN(C(c3ccccc3)c3ccccc3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.50
CHRM1 P11229 5/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM3 P20309 2/20 0.47
DRD1 P21728 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47
KCNH2 Q12809 2/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL4594663 0.82 L3MBTL3 (0.45) CHRM1SLC6A3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL8942152 0.81 L3MBTL3 (0.44) CHRM1SLC6A3CHRM2CHRM4CHRM5
SCHEMBL7492099 0.80 CHRM2 (0.41) CHRM1SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1221639 0.74 OPRM1 (0.48) SLC6A2CHRM1SLC6A4SLC6A3CHRM2
Hydrochloric Acid SCHEMBL4159915 0.73 OPRM1 (0.47) SLC6A2CHRM1SLC6A4SLC6A3CHRM2
SCHEMBL6801650 0.71 LMNA (0.45) SLC6A2CHRM1SLC6A4SLC6A3CHRM2
SCHEMBL6801641 0.71 LMNA (0.45) SLC6A2CHRM1SLC6A4SLC6A3CHRM2
SCHEMBL3832497 0.71 ALDH1A1 (0.49) CHRM1SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1104991 0.71 OPRM1 (0.44) CHRM1SLC6A3CHRM2CHRM4CHRM5
SCHEMBL14880576 0.70 KDM1A (0.66) SLC6A2SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734306-B2 USEFUL IN THE TREATMENT OF INFLAMMATION, ASTHMA, ALLERGIC RHINITIS, PAIN OR THE LIKE PFIZER, INC. 2004-05-11 US disclosed
US-20020128271-A1 N-benzenesulfonyl l-proline compounds as bradykinin antagonists PFIZER INC. 2002-09-12 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-20020128271-A1 N-benzenesulfonyl l-proline compounds as bradykinin antagonists BDKRB1, HRH2, BDKRB2 SLC6A2 3381/4885CHRM1 729/4885SLC6A4 2827/4885

“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.