SCHEMBL12914799

SCHEMBL12914799

CCc1oc(CCc2cc(N3C4CCCC3CC4)cc(NCCOC)n2)nc1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.69
NPY1R P25929 11/20 0.69
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPR39 O43194 1/20 0.31
PDE4B Q07343 2/20 0.31
CYP3A4 P08684 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
SCHEMBL13688201 0.80 KCNH2 (0.64) KCNH2NPY1RCYP1A2ALOX15CLK4
SCHEMBL962684 0.79 NPY1R (0.78) KCNH2NPY1R
SCHEMBL962168 0.79 NPY1R (0.75) KCNH2NPY1R
SCHEMBL12914798 0.78 NPY1R (0.68) KCNH2NPY1R
SCHEMBL962911 0.78 NPY1R (0.68) KCNH2NPY1R
SCHEMBL12914802 0.61 KCNH2 (0.48) KCNH2NPY1RCYP11B1CYP11B2
SCHEMBL960822 0.61 KCNH2 (0.77) KCNH2NPY1R
SCHEMBL13011978 0.61 NPY1R (0.81) KCNH2NPY1R
SCHEMBL12946574 0.60 KCNH2 (0.51) KCNH2NPY1R
SCHEMBL965566 0.59 NPY1R (0.69) KCNH2NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R KCNH2 1295/4885NPY1R 2/4885CYP11B1 427/4885

“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.