SCHEMBL17277609

SCHEMBL17277609

CC1CCCN(CCCN2CCOCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOB P27338 2/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL12449639 0.95 KDM4E (0.45) HRH3KEAP1SMN1; SMN2KDM4E
SCHEMBL13433 0.95 KDM4E (0.45) HRH3KEAP1SMN1; SMN2KDM4E
SCHEMBL13017 0.95 KDM4E (0.45) HRH3KEAP1SMN1; SMN2KDM4E
SCHEMBL9374424 0.87 HRH3 (0.53) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL12449699 0.83 KDM4E (0.45) HRH3CYP1A2CYP2D6KEAP1SMN1; SMN2
SCHEMBL12995 0.83 KDM4E (0.45) HRH3CYP1A2CYP2D6KEAP1SMN1; SMN2
SCHEMBL1430617 0.83 KDM4E (0.45) HRH3CYP1A2CYP2D6KEAP1SMN1; SMN2
SCHEMBL12942 0.83 KDM4E (0.50) HRH3HRH2HRH1KDM4E
SCHEMBL12449677 0.83 KDM4E (0.50) HRH3HRH2HRH1KDM4E
SCHEMBL12666 0.81 KDM4E (0.49) HRH3CYP1A2KDM4E

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
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HRH3 3537/4885CYP1A2 1366/4885CYP2D6 993/4885

“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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