SCHEMBL18804729

SCHEMBL18804729

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCOCCOC(=O)C(Cc1cnc[nH]1)NBC=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.42
▸ HRH3 Q9Y5N1 10/20 0.42
▸ HRH4 Q9H3N8 5/20 0.40

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
SCHEMBL18804717 0.89 SLC6A5 (0.41) SLC6A5HRH3HRH4
SCHEMBL18804698 0.82 HRH3 (0.45) SLC6A5HRH3HRH4
SCHEMBL18804744 0.82 HRH3 (0.45) SLC6A5HRH3HRH4
SCHEMBL18804697 0.82 HRH3 (0.45) SLC6A5HRH3HRH4
SCHEMBL18804658 0.81 CYP3A4 (0.45) HRH3HRH4
SCHEMBL18804682 0.81 CYP3A4 (0.45) HRH3HRH4
SCHEMBL18804683 0.81 CYP3A4 (0.45) HRH3HRH4
SCHEMBL18804711 0.81 CYP3A4 (0.45) HRH3HRH4
SCHEMBL18804708 0.81 CYP3A4 (0.45) HRH3HRH4
SCHEMBL18804677 0.81 CYP3A4 (0.45) HRH3HRH4

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-9795566-B2 Imidazole compound and liposome containing same FUJIFILM CORPORATION (JP) 2017-10-24 — — US disclosed
US-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME FUJIFILM CORPORATION (JP) 2017-05-04 — — 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-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME NPC1L1, LETM1, STOML2 SLC6A5 2186/4885HRH3 73/4885HRH4 66/4885

“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.

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