SCHEMBL3544392

SCHEMBL3544392

NC[C@H]1CCCN1CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
NCF1 P14598 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
GBA1 P04062 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 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
SCHEMBL7026183 1.00 HTT (0.33) HTTNCF1CHRM5ADRA2CGBA1
SCHEMBL3934463 1.00 HTT (0.33) HTTNCF1CHRM5ADRA2CGBA1
SCHEMBL7022671 0.94 CHRM5 (0.40) HTTNCF1CHRM5ADRA2CGBA1
SCHEMBL10563375 0.94 CHRM5 (0.40) HTTNCF1CHRM5ADRA2CGBA1
SCHEMBL11537690 0.94 CHRM5 (0.40) HTTNCF1CHRM5ADRA2CGBA1
SCHEMBL3504249 0.92 CHRM5 (0.43) CHRM5ADRA2CGBA1
SCHEMBL4586403 0.92 CHRM5 (0.43) CHRM5ADRA2CGBA1
SCHEMBL10722386 0.92 CHRM5 (0.43) CHRM5ADRA2CGBA1
SCHEMBL2053529 0.79
SCHEMBL10560985 0.79 HTT (0.35) HTTNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HTT 3124/4885NCF1 1816/4885CHRM5 3939/4885

“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.