SCHEMBL6496199

SCHEMBL6496199

N#Cc1cccc(OC2CCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.66
SLC6A3 Q01959 3/20 0.66
SLC6A4 P31645 2/20 0.66
HRH1 P35367 3/20 0.50
CCR3 P51677 3/20 0.50
MGLL Q99685 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
EPHX2 P34913 1/20 0.46
CHRM4 P08173 1/20 0.46
GPR6 P46095 1/20 0.44
KAT6A Q92794 1/20 0.44

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
SCHEMBL26049997 0.97 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL1409317 0.93 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL940415 0.87 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL15575038 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL15575035 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4HRH1CCR3
Hydrochloric Acid SCHEMBL69675 0.85 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL3121581 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4HRH1CCR3
SCHEMBL3158663 0.85 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4
SCHEMBL3289104 0.83 HRH3 (0.68) SLC6A2SLC6A3SLC6A4HRH1CCR3
Hydrochloric Acid SCHEMBL4227255 0.82 HRH3 (0.67) SLC6A2SLC6A3SLC6A4HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R SLC6A2 1318/4885SLC6A3 788/4885SLC6A4 1570/4885

“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.