SCHEMBL13720309

SCHEMBL13720309

C=CC[N+]1([C@@H]2CC3C4CCC5C[C@H](OC(C)=O)[C@@H](N6CCOCC6)C[C@]5(C)C4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.86
▸ AGTR1 P30556 1/20 0.86
▸ HRH3 Q9Y5N1 1/20 0.68
▸ SLC22A2 O15244 1/20 0.68
▸ SLC47A2 Q86VL8 1/20 0.68
▸ SLC47A1 Q96FL8 1/20 0.68
▸ MEN1 O00255 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ RAD52 P43351 1/20 0.56

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
SCHEMBL13851842 1.00 KCNH2 (0.86) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643858 0.99 KCNH2 (0.85) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643853 0.99 KCNH2 (0.85) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643847 0.99 KCNH2 (0.85) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10591650 0.99 KCNH2 (0.84) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10591640 0.99 KCNH2 (0.84) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10409042 0.99 KCNH2 (0.84) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10591647 0.99 KCNH2 (0.84) KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10409044 0.99 KCNH2 (0.84) KCNH2AGTR1HRH3SLC22A2SLC47A2
SCHEMBL13851843 0.94 KCNH2 (0.77) KCNH2AGTR1HRH3SLC22A2SLC47A2

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-7569687-B2 Processes for the synthesis of rocuronium bromide SICOR, INC. (US) 2009-08-04 — — US disclosed
US-20070117975-A1 Processes for the synthesis of rocuronium bromide SICOR, INC. 2007-05-24 — — 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-20070117975-A1 Processes for the synthesis of rocuronium bromide HSD17B7, HSD3B2, HSD3B1 KCNH2 1692/4885AGTR1 2139/4885HRH3 3175/4885

“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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