SCHEMBL1224945

SCHEMBL1224945

COc1ccc2nccc(N3C[C@@H]4C[C@H]3CN4)c2n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.56
CHRNA4 P43681 10/20 0.56
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NTRK1 P04629 1/20 0.40
MAP4K1 Q92918 1/20 0.40

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
Hydrochloric Acid SCHEMBL5798571 0.73 KCNH2 (0.35)
Hydrochloric Acid SCHEMBL4067892 0.73 KCNH2 (0.35)
SCHEMBL10078632 0.72 HTR2C (0.45) CHRNB2CHRNA4CHRNB4CHRNA3MAP4K1
SCHEMBL1224035 0.72 CYP2C19 (0.43)
SCHEMBL5366850 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5034124 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL899503 0.72 BMPR1B (0.50) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7690304 0.71 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7690443 0.71 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1224675 0.71 MAP4K1 (0.41) NTRK1MAP4K1

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-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 CHRNB2 4793/4885CHRNA4 4627/4885CHRNB4 4735/4885

“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.