SCHEMBL13939986

SCHEMBL13939986

CN1CCC(N(C)C2CC2)C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.34
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
JAK2 O60674 1/20 0.33
PYGL P06737 1/20 0.32
MCHR1 Q99705 2/20 0.32
SLC6A2 P23975 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PGR P06401 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8435327 0.95 NCF1 (0.39) NCF1HTR2AHTR2CJAK2L3MBTL1
SCHEMBL25105751 0.93 JAK2 (0.38) NCF1HTR2AHTR2CJAK2PYGL
SCHEMBL25105750 0.93 JAK2 (0.38) NCF1HTR2AHTR2CJAK2PYGL
SCHEMBL25105756 0.93 JAK2 (0.38) NCF1HTR2AHTR2CJAK2PYGL
SCHEMBL14302735 0.90 NCF1 (0.33) NCF1JAK2
SCHEMBL17888490 0.87 HTR2A (0.40) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL8442130 0.85 HTR2A (0.41) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL8257091 0.84 HRH3 (0.32) HTR2AHTR2CMCHR1
SCHEMBL18136205 0.82
SCHEMBL81996 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966164-B1 NOVEL SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
US-8329704-B2 Substituted pyrazinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2012-12-11 US disclosed
US-8329704-B2 Substituted pyrazinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2012-12-11 US disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 US disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 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-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases MCHR1, MCHR2, MC1R NCF1 834/4885HTR2A 394/4885HTR2C 270/4885

“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.