SCHEMBL4186947

SCHEMBL4186947

CCOC(=O)c1cc(C(C)C)nn1CCOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
FAAH O00519 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GCK P35557 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX3 P56373 3/20 0.35
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL4181795 0.87 MEN1 (0.45) KMT2AMEN1ALDH1A1GCKP2RX3
SCHEMBL4193957 0.84 KMT2A (0.39) KMT2AMEN1FAAHGCKP2RX3
SCHEMBL5823151 0.82 KMT2A (0.42) KMT2AMEN1FAAHALDH1A1ALOX15
SCHEMBL4193984 0.81 FAAH (0.40) KMT2AMEN1FAAHGCKMAPK1
SCHEMBL5937199 0.80 FAAH (0.48) FAAHALDH1A1TSHRRAB9A
SCHEMBL4192007 0.79 NPC1 (0.41) KMT2AMEN1ALDH1A1GCKP2RX3
SCHEMBL15145251 0.78 FAAH (0.43) KMT2AMEN1FAAHALDH1A1ALOX15
SCHEMBL4191329 0.77 MEN1 (0.45) KMT2AMEN1GCKP2RX3KDM4C
SCHEMBL24524644 0.76 MEN1 (0.38) KMT2AMEN1ALDH1A1GCKTSHR
SCHEMBL24103840 0.76 KMT2A (0.45) KMT2AMEN1FAAHALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP 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
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO 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 KMT2A 2721/4885MEN1 532/4885FAAH 2785/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C KMT2A 2009/4885MEN1 1891/4885FAAH 2117/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT KMT2A 2721/4885MEN1 532/4885FAAH 2785/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT KMT2A 2721/4885MEN1 532/4885FAAH 2785/4885

“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.