SCHEMBL3572912

SCHEMBL3572912

COc1ccc2cccc(CCC3(O)CCCCC3NCc3cnc4c(c3)NC(=O)CS4)c2n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.38
MTNR1B P49286 12/20 0.38
KCNH2 Q12809 3/20 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
SCHEMBL13633343 0.87 KCNH2 (0.46) MTNR1AMTNR1BKCNH2
SCHEMBL3572910 0.87 KCNH2 (0.46) MTNR1AMTNR1BKCNH2
SCHEMBL4040571 0.86 KCNH2 (0.35) KCNH2
SCHEMBL13638251 0.81 MTNR1A (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL3573632 0.71 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL20679509 0.69 MTNR1A (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL5263873 0.69 KCNH2 (0.52) KCNH2
SCHEMBL14341402 0.69 KCNH2 (0.68) KCNH2
SCHEMBL13407409 0.67 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3574972 0.67 KCNH2 (0.44) MTNR1AMTNR1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA MTNR1A 4164/4885MTNR1B 4015/4885KCNH2 2854/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MTNR1A 4104/4885MTNR1B 4079/4885KCNH2 3731/4885

“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.