SCHEMBL6353897

SCHEMBL6353897

c1nc(CCC2CCNCC2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
SLC6A4 P31645 5/20 0.41
HRH4 Q9H3N8 1/20 0.37
FAAH O00519 1/20 0.35
GBA1 P04062 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL15139142 0.90 HRH3 (0.51) HRH3SLC6A4HRH4FAAHITGB3
Bromide SCHEMBL15130221 0.89 HRH3 (0.50) HRH3SLC6A4HRH4FAAHITGB3
SCHEMBL8524329 0.84 HRH4 (0.41) HRH3HRH4
Immepip SCHEMBL6347746 0.82 HRH3 (0.46) HRH3SLC6A4HRH4GBA1
Immepip SCHEMBL6354845 0.81 HRH3 (0.47) HRH3SLC6A4HRH4GBA1
Immepip SCHEMBL6605805 0.81 HRH3 (0.45) HRH3SLC6A4HRH4GBA1
SCHEMBL3207984 0.80 GNAI3 (0.41) HRH3HRH4
SCHEMBL8515210 0.76 HRH3 (0.49) HRH3SLC6A4HRH4GBA1
SCHEMBL9850899 0.75 HRH4 (0.40) HRH3HRH4
SCHEMBL7663603 0.74 HRH3 (0.36) HRH3FAAHITGB3

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-6951944-B2 Production of imidazole derivatives and novel intermediates of the derivatives AZWELL INC. (JP) 2005-10-04 US disclosed
US-20050043277-A1 Production of imidazole derivatives and novel intermediates of the derivatives AZWELL INC. (JP) 2005-02-24 US disclosed
EP-1477487-A1 IMPROVEMENT IN THE PRODUCTION OF IMIDAZOLE DERIVATIVES AND NOVEL INTERMEDIATES OF THE DERIVATIVES Azwell Inc. (JP) 2004-11-17 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-20050043277-A1 Production of imidazole derivatives and novel intermediates of the derivatives HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 2892/4885HRH4 2/4885

“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.