SCHEMBL4192007

SCHEMBL4192007

CCc1cc(C(=O)OC)n(CCOC2CCCCO2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX3 P56373 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
SMYD3 Q9H7B4 1/20 0.36
GCK P35557 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 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
SCHEMBL4191329 0.89 MEN1 (0.45) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL20400477 0.84 P2RX3 (0.37) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL4191240 0.82 NPC1 (0.39) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL20565389 0.81 MEN1 (0.43) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL4186947 0.79 KMT2A (0.38) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL29001335 0.78 KMT2A (0.39) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL20382691 0.78 SMYD3 (0.38) MEN1KMT2ASMYD3ALDH1A1
SCHEMBL15149903 0.77 NPC1 (0.41) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL5824115 0.76 NPC1 (0.41) NPC1RAB9AP2RX3MEN1KMT2A
SCHEMBL4181795 0.76 MEN1 (0.45) NPC1RAB9AP2RX3MEN1KMT2A

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 10 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
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 NPC1 412/4885RAB9A 1644/4885P2RX3 560/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C NPC1 1911/4885RAB9A 1303/4885P2RX3 929/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT NPC1 412/4885RAB9A 1644/4885P2RX3 560/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT NPC1 412/4885RAB9A 1644/4885P2RX3 560/4885

“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.