SCHEMBL4196206

SCHEMBL4196206

Cc1cc(C(=O)O)nn1CCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGER1 P34995 4/20 0.43
KDM4C Q9H3R0 1/20 0.38
P2RY14 Q15391 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX3 P56373 1/20 0.37
PTGER3 P43115 1/20 0.36
GCK P35557 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4193984 0.88 FAAH (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4185104 0.87 MEN1 (0.44) MEN1KMT2APTGER1KDM4CP2RY14
SCHEMBL4191448 0.87 MEN1 (0.44) MEN1KMT2APTGER1KDM4CP2RY14
SCHEMBL15244562 0.81 GAA (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4181795 0.79 MEN1 (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4191329 0.79 MEN1 (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4193957 0.78 KMT2A (0.39) MEN1KMT2AKDM4CP2RX3GCK
SCHEMBL8296606 0.77 KMT2A (0.50) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4191240 0.76 NPC1 (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8296608 0.75 MEN1 (0.51) MEN1KMT2AKDM4CNPC1RAB9A

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 12 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-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO 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 MEN1 532/4885KMT2A 2721/4885PTGER1 752/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C MEN1 1891/4885KMT2A 2009/4885PTGER1 406/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885KMT2A 2721/4885PTGER1 752/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885KMT2A 2721/4885PTGER1 752/4885

“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.