SCHEMBL1334937

SCHEMBL1334937

c1ncc(C2CCNC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
JAK3 P52333 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL19559713 0.89 CHEK1 (0.46) HTR3ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2803334 0.86 SLC18A3 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
Hydrochloric Acid SCHEMBL4463792 0.84 SLC18A3 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL7895339 0.81 CHRNB2 (0.39) HTR3ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL3001216 0.79 CHRNB2 (0.38) HTR3ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL3716821 0.79 CHRNB2 (0.38) HTR3ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2282526 0.79 HTR3A (0.44) HTR3A
SCHEMBL19566656 0.79 CYP11B2 (0.62) HTR3ACHRNB2CHRNA4
SCHEMBL717702 0.79 CYP11B2 (0.62) HTR3ACHRNB2CHRNA4
SCHEMBL12954652 0.78 HTR3A (0.47) HTR3AJAK3

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
US-8604191-B2 Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3YLVINYL)pyrimidine TARGACEPT, INC. (US) 2013-12-10 US disclosed
US-20110281895-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE TARGACEPT, INC. (US) 2011-11-17 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-20110281895-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE DPYD, DHPS, NUDT5 HTR3A 3580/4885CHRNB2 4220/4885CHRNB4 4098/4885

“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.