SCHEMBL4186402

SCHEMBL4186402

O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(OCc2ccccc2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
CNR2 P34972 10/20 0.44
CNR1 P21554 8/20 0.44
MAOB P27338 1/20 0.44
CYP2D6 P10635 1/20 0.40
CCR3 P51677 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
ABHD12 Q8N2K0 1/20 0.40
HTR3A P46098 2/20 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
SCHEMBL13929102 1.00 MEN1 (0.46) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL4195487 0.92 MEN1 (0.42) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL13929097 0.92 MEN1 (0.42) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL4184526 0.92 MEN1 (0.41) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL13929099 0.92 MEN1 (0.41) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL13929104 0.91 PDE4B (0.46) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL4193018 0.91 PDE4B (0.46) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL8299139 0.87 MEN1 (0.39) MEN1ALDH1A1KMT2ASGMS2CNR2
SCHEMBL4186392 0.86 PDE4B (0.43) CNR2CNR1PDE4BPDE4APDE4D
SCHEMBL13929027 0.86 PDE4B (0.43) CNR2CNR1PDE4BPDE4APDE4D

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
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885ALDH1A1 212/4885KMT2A 2721/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C MEN1 1891/4885ALDH1A1 356/4885KMT2A 2009/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885ALDH1A1 212/4885KMT2A 2721/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885ALDH1A1 212/4885KMT2A 2721/4885

“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.