SCHEMBL3252171

SCHEMBL3252171

COC(=O)C1CN(Cc2cc3ccccc3o2)CCC1CCCc1cccc2ncc(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.46
MTNR1B P49286 6/20 0.44
MTNR1A P48039 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2B P41595 10/20 0.41
DRD2 P14416 7/20 0.41
HTR1A P08908 2/20 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
SCHEMBL3252168 1.00 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3239661 0.94 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3239669 0.94 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3246012 0.88 CCR8 (0.44) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL5330379 0.87 KCNH2 (0.45) CCR8SMN1; SMN2
SCHEMBL5330381 0.87 KCNH2 (0.45) CCR8SMN1; SMN2
SCHEMBL5443493 0.87 KCNH2 (0.45) CCR8SMN1; SMN2
SCHEMBL3246398 0.80 KCNH2 (0.52)
SCHEMBL3246402 0.80 KCNH2 (0.52)
SCHEMBL5246744 0.79 MTNR1B (0.45) CCR8MTNR1BMTNR1AHTR1A

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
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

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 CCR8 829/4885MTNR1B 2247/4885MTNR1A 2634/4885

“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.