SCHEMBL3436054

SCHEMBL3436054

COC[C@@H](C)N(C)C(N)=S

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
PIK3CD O00329 1/20 0.30

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
SCHEMBL3436028 1.00 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL13162316 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL7485231 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL16741372 0.71 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL13373976 0.71 ACACB (0.36) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL16741679 0.71 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL19814582 0.71 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL21030403 0.69 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL6510225 0.68
SCHEMBL3436861 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CHRNB2 871/4885CHRNB4 1181/4885CHRNA3 521/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CHRNB2 520/4885CHRNB4 662/4885CHRNA3 195/4885

“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.