SCHEMBL4200640

SCHEMBL4200640

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccnc2OC2CCSCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
CNR1 P21554 5/20 0.47
TYK2 P29597 6/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.40
BTK Q06187 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL13929052 1.00 CNR2 (0.47) CNR2CNR1TYK2KDM1AMAOB
SCHEMBL8299116 0.84 CNR2 (0.48) CNR2CNR1TYK2RAB9AL3MBTL1
SCHEMBL6012264 0.84 CNR2 (0.60) CNR2CNR1TYK2RAB9A
Hydrochloric Acid SCHEMBL4185132 0.83 CNR2 (0.47) CNR2CNR1TYK2RAB9AL3MBTL1
SCHEMBL4186958 0.83 CACNB4 (0.42) BTK
SCHEMBL13929049 0.83 CACNB4 (0.42) BTK
SCHEMBL8303269 0.83 TYK2 (0.43) CNR2TYK2KDM1AMAOBBTK
SCHEMBL4198559 0.83 TYK2 (0.43) CNR2TYK2KDM1AMAOBBTK
SCHEMBL13697676 0.83 BTK (0.49) CNR2CNR1KDM1AMAOBRAB9A
SCHEMBL4100387 0.83 BTK (0.49) CNR2CNR1KDM1AMAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US 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
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
EP-1683795-A1 Crystalline forms of cis-5-fluoro-N-¬4-(2-hydroxy-4-methylbenzamido)cyclohexyl|-2-(tetrahydrothiopyran-4-yloxy)nicotinamide Pfizer Limited (GB) 2006-07-26 EP 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 (5 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 CNR2 571/4885CNR1 529/4885TYK2 3691/4885
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide SIRT5, NAMPT, SIRT4 CNR2 2302/4885CNR1 3283/4885TYK2 3295/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C CNR2 1750/4885CNR1 1800/4885TYK2 4041/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885TYK2 3691/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885TYK2 3691/4885

“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.