SCHEMBL6377779

SCHEMBL6377779

Pc1ccccc1CCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.62
SLC6A3 Q01959 1/20 0.55
SIGMAR1 Q99720 6/20 0.53
KCNH2 Q12809 2/20 0.50
HTR2A P28223 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL20238378 0.77 HRH3 (0.58) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL4932037 0.77 SIGMAR1 (0.67) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL9254022 0.77 HRH3 (0.62) HRH3SLC6A3SIGMAR1KCNH2
SCHEMBL11648726 0.77 KCNH2 (0.69) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL11267644 0.76 HRH3 (0.61) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL791561 0.76 HRH3 (0.61) HRH3SLC6A3SIGMAR1KCNH2
SCHEMBL8673775 0.76 SIGMAR1 (0.65) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL12073194 0.76 ALDH1A1 (0.68) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL6573503 0.76 HRH3 (0.96) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL9232873 0.74 HRH3 (0.59) HRH3SLC6A3SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 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-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 HRH3 2820/4885SLC6A3 2486/4885SIGMAR1 2006/4885

“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.