SCHEMBL3246023

SCHEMBL3246023

COC(=O)[C@H]1CNCC[C@H]1CCCc1cccc2ncc(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.55
MTNR1A P48039 8/20 0.55
ADAM17 P78536 1/20 0.37

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
SCHEMBL3245328 0.82 KCNH2 (0.44) MTNR1BMTNR1A
SCHEMBL3245332 0.82 KCNH2 (0.44) MTNR1BMTNR1A
SCHEMBL5206013 0.80 MTNR1A (0.49) MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL7726049 0.79 MTNR1A (0.48) MTNR1BMTNR1A
SCHEMBL3243038 0.79 MTNR1B (0.51) MTNR1BMTNR1AADAM17
Trifluoroacetic Acid SCHEMBL7726051 0.76 MTNR1A (0.45) MTNR1BMTNR1A
Trifluoroacetic Acid SCHEMBL7728891 0.76 MTNR1A (0.45) MTNR1BMTNR1A
SCHEMBL3252168 0.74 CCR8 (0.46) MTNR1BMTNR1A
SCHEMBL3252171 0.74 CCR8 (0.46) MTNR1BMTNR1A
SCHEMBL3252874 0.74 KCNH2 (0.59) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 US disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 MTNR1B 2247/4885MTNR1A 2634/4885ADAM17 4130/4885

“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.