SCHEMBL5823151

SCHEMBL5823151

CCOC(=O)c1ccnn1CCOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
P2RY12 Q9H244 1/20 0.35
POLB P06746 1/20 0.35
P2RX3 P56373 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL24103840 0.94 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNAADORA3
SCHEMBL20565389 0.89 MEN1 (0.43) KMT2AMEN1ADORA3NPC1RAB9A
SCHEMBL29001335 0.85 KMT2A (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8296608 0.85 MEN1 (0.51) KMT2AMEN1ADORA3NPC1RAB9A
SCHEMBL4186947 0.82 KMT2A (0.38) KMT2AMEN1ALDH1A1ADORA3NPC1
SCHEMBL4193984 0.80 FAAH (0.40) KMT2AMEN1ADORA3NPC1RAB9A
SCHEMBL24103862 0.79 MEN1 (0.55) KMT2AMEN1NPC1RAB9AKDM4C
SCHEMBL5868268 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAADORA3
SCHEMBL30420188 0.78 MEN1 (0.48) KMT2AMEN1NPC1RAB9AKDM4C
SCHEMBL4191197 0.78 ELANE (0.54)

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-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO 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-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C KMT2A 2397/4885MEN1 1824/4885ALDH1A1 284/4885

“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.